Smart Solutions™ TerpiMix Kit 2500 μg/mL in Isopropanol
Product Code
DRE-K50000655IP
CAS Number
63 AnalytesProduct Format
Kit
Solvent
Isopropanol
Lot Number
2-H540969IP
Expiry
2026-10-12
Product Categories
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- Product Name: Smart Solutions™ TerpiMix Kit 2500 μg/mL in Isopropanol
- Product Code: DRE-K50000655IP
- Brand: Dr. Ehrenstorfer
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
{{ analyteItem.inchi[0].name }}
IUPAC
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(+)-Borneol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
IUPAC
(1R,3S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
(+)-Carvone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 O
Molecular Weight
150.22
Accurate Mass
150.1045
SMILES
CC(=C)[C@H]1CC=C(C)C(=O)C1
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
IUPAC
(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
(+)-Dihydrocarveol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.249
Accurate Mass
154.136
SMILES
C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m0/s1
IUPAC
(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
(+)-Fenchone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 O
Molecular Weight
152.23
Accurate Mass
152.1201
SMILES
C[C@]12CC[C@H](C1)C(C)(C)C2=O
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
IUPAC
(1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
(+)-Fenchyl Alcohol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
C[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
IUPAC
(1S,3R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol
(-)-alpha-Cedrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24
Molecular Weight
204.35
Accurate Mass
204.1878
SMILES
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C
InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
IUPAC
(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
(-)-Borneol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
IUPAC
(1S,3R,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
(-)-Fenchone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 O
Molecular Weight
152.23
Accurate Mass
152.1201
SMILES
C[C@@]12CC[C@@H](C1)C(C)(C)C2=O
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
IUPAC
(1S,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
(-)-Isopulegol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
C[C@@H]1CC[C@H]([C@H](O)C1)C(=C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
IUPAC
(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
(-)-Trans-Caryophyllene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24
Molecular Weight
204.35
Accurate Mass
204.1878
SMILES
C\C\1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1
InChI
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
IUPAC
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
(-)-Verbenone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 O
Molecular Weight
150.22
Accurate Mass
150.1045
SMILES
CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
IUPAC
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one
(1S)-(+)-3-Carene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1=CC[C@@H]2[C@H](C1)C2(C)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
IUPAC
(1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
(cis + trans)-Nerolidol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H26 O
Molecular Weight
222.37
Accurate Mass
222.1984
SMILES
CC(=CCCC(=CCCC(C)(O)C=C)C)C
InChI
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
IUPAC
3,7,11-trimethyldodeca-1,6,10-trien-3-ol
(±)-beta-Citronellol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20 O
Molecular Weight
156.27
Accurate Mass
156.1514
SMILES
CC(CCO)CCC=C(C)C
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
IUPAC
3,7-dimethyloct-6-en-1-ol
1-Methyl-2-isopropylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.218
Accurate Mass
134.11
SMILES
CC(C)c1ccccc1C
InChI
InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
IUPAC
1-methyl-2-propan-2-ylbenzene
1-Terpinen-4-ol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC(C)C1(O)CCC(=CC1)C
InChI
InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
IUPAC
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
3-Isopropyltoluene (m-Cymol)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.218
Accurate Mass
134.11
SMILES
CC(C)c1cccc(C)c1
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
IUPAC
1-methyl-3-propan-2-ylbenzene
4-Cymene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
CC(C)c1ccc(C)cc1
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
IUPAC
1-methyl-4-propan-2-ylbenzene
4-Thujanol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC(C)C12CCC(C)(O)C1C2
InChI
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3
IUPAC
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
Acetic Acid-Octyl Ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20 O2
Molecular Weight
172.265
Accurate Mass
172.1463
SMILES
CCCCCCCCOC(=O)C
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
IUPAC
octyl acetate
alpha-(-)-Thujone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 O
Molecular Weight
152.23
Accurate Mass
152.1201
SMILES
CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
InChI
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
IUPAC
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
alpha-Bisabolol
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C15 H26 O
Molecular Weight
222.37
Accurate Mass
222.1984
SMILES
CC(=CCC[C@](C)(O)[C@H]1CCC(=CC1)C)C
InChI
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
IUPAC
(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
alpha-Farnesene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24
Molecular Weight
204.35
Accurate Mass
204.1878
SMILES
CC(=CCC\C(=C\C\C=C(/C)\C=C)\C)C
InChI
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
IUPAC
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
alpha-Humulene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24
Molecular Weight
204.35
Accurate Mass
204.1878
SMILES
C\C\1=C\CC\C(=C\CC(C)(C)\C=C\C1)\C
InChI
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7-,14-10+
IUPAC
(1Z,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
alpha-Phellandrene
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(C)C1CC=C(C)C=C1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
IUPAC
2-methyl-5-propan-2-ylcyclohexa-1,3-diene
alpha-Terpinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(C)C1=CC=C(C)CC1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
IUPAC
1-methyl-4-propan-2-ylcyclohexa-1,3-diene
alpha-Terpineol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC1=CCC(CC1)C(C)(C)O
InChI
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
IUPAC
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
beta-Ocimene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(=CCC=C(C)C=C)C
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3
IUPAC
3,7-dimethylocta-1,3,6-triene
beta-Pinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1(C)C2CCC(=C)C1C2
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
IUPAC
6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
Camphene
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1(C)[C@@H]2CC[C@@H](C2)C1=C
InChI
InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
IUPAC
(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane
Carvacrol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 O
Molecular Weight
150.22
Accurate Mass
150.1045
SMILES
CC(C)c1ccc(C)c(O)c1
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
IUPAC
2-methyl-5-propan-2-ylphenol
Caryophyllene Oxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24 O
Molecular Weight
220.35
Accurate Mass
220.1827
SMILES
CC1(C)C[C@H]2[C@H]1CC[C@@]3(C)O[C@@H]3CCC2=C
InChI
InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
IUPAC
(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
Cedrol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H26 O
Molecular Weight
222.37
Accurate Mass
222.1984
SMILES
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O
InChI
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
IUPAC
(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
Citral
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 O
Molecular Weight
152.23
Accurate Mass
152.1201
SMILES
CC(=CCCC(=CC=O)C)C
InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
IUPAC
3,7-dimethylocta-2,6-dienal
Delta-3-Carene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1=CCC2C(C1)C2(C)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
IUPAC
4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
delta-Valerolactam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H9 N O
Molecular Weight
99.131
Accurate Mass
99.0684
SMILES
O=C1CCCCN1
InChI
InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
IUPAC
piperidin-2-one
DL-alpha-Pinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC1=CCC2CC1C2(C)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
IUPAC
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
DL-Camphor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 O
Molecular Weight
152.23
Accurate Mass
152.1201
SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
IUPAC
(1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
DL-Linalool
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.249
Accurate Mass
154.136
SMILES
CC(=CCCC(C)(O)C=C)C
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
IUPAC
3,7-dimethylocta-1,6-dien-3-ol
Eucalyptol (1,8-Cineole)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC12CCC(CC1)C(C)(C)O2
InChI
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
IUPAC
2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
Farnesol (Mixture of Isomers)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H26 O
Molecular Weight
222.37
Accurate Mass
222.1984
SMILES
CC(=CCCC(=CCCC(=CCO)C)C)C
InChI
InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
IUPAC
3,7,11-trimethyldodeca-2,6,10-trien-1-ol
gamma-Terpinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(C)C1=CCC(=CC1)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
IUPAC
1-methyl-4-propan-2-ylcyclohexa-1,4-diene
Geraniol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC(=CCC\C(=C\CO)\C)C
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
IUPAC
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Geranyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H20 O2
Molecular Weight
196.29
Accurate Mass
196.1463
SMILES
CC(=CCC\C(=C\COC(=O)C)\C)C
InChI
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
IUPAC
[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
Guaiol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H26 O
Molecular Weight
222.37
Accurate Mass
222.1984
SMILES
C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
IUPAC
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
Isoborneol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
C[C@@]12CC[C@@H]([C@H](O)C1)C2(C)C
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)6-8(7)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
IUPAC
(1R,2R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Isobornyl Acetate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H20 O2
Molecular Weight
196.29
Accurate Mass
196.1463
SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChI
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1
IUPAC
[(1S,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate
Limonene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(=C)C1CCC(=CC1)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
IUPAC
1-methyl-4-prop-1-en-2-ylcyclohexene
Menthol Racemic
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20 O
Molecular Weight
156.27
Accurate Mass
156.1514
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
IUPAC
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
Menthone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC(C)C1CCC(C)CC1=O
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
IUPAC
5-methyl-2-propan-2-ylcyclohexan-1-one
Myrcene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(=CCCC(=C)C=C)C
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
IUPAC
7-methyl-3-methylideneocta-1,6-diene
Nerol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H18 O
Molecular Weight
154.25
Accurate Mass
154.1358
SMILES
CC(=CCC\C(=C/CO)\C)C
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
IUPAC
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Nootkatone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H22 O
Molecular Weight
218.33
Accurate Mass
218.1671
SMILES
C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(=C)C
InChI
InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
IUPAC
(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Phytane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H42
Molecular Weight
282.55
Accurate Mass
282.3287
SMILES
CCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3
IUPAC
2,6,10,14-tetramethylhexadecane
Phytol (cis/trans mixture)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H40 O
Molecular Weight
296.53
Accurate Mass
296.3079
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
InChI
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3
IUPAC
3,7,11,15-tetramethylhexadec-2-en-1-ol
Piperitone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 O
Molecular Weight
152.23
Accurate Mass
152.1201
SMILES
CC(C)C1CCC(=CC1=O)C
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3
IUPAC
3-methyl-6-propan-2-ylcyclohex-2-en-1-one
R-(+)-Pulegone
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C10 H16 O
Molecular Weight
152.23
Accurate Mass
152.1201
SMILES
C[C@@H]1CCC(=C(C)C)C(=O)C1
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
IUPAC
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
Sabinene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(C)C12CCC(=C)C1C2
InChI
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
IUPAC
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
Safranal
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 O
Molecular Weight
150.22
Accurate Mass
150.1045
SMILES
CC1=C(C=O)C(C)(C)CC=C1
InChI
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
IUPAC
2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
Squalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C30 H50
Molecular Weight
410.72
Accurate Mass
410.3913
SMILES
CC(=CCC\C(=C\CC\C(=C\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)\C)\C)C
InChI
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
IUPAC
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Terpinolene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16
Molecular Weight
136.23
Accurate Mass
136.1252
SMILES
CC(=C1CCC(=CC1)C)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
IUPAC
1-methyl-4-propan-2-ylidenecyclohexene
Thymol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 O
Molecular Weight
150.22
Accurate Mass
150.1045
SMILES
CC(C)c1ccc(C)cc1O
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
IUPAC
5-methyl-2-propan-2-ylphenol
Valencene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24
Molecular Weight
204.35
Accurate Mass
204.1878
SMILES
C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(=C)C
InChI
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
IUPAC
(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
Kit
Solvent
Isopropanol
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