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Reference substances

Reference substances

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General information

Inventory

EC number:
211-360-5
EC name:
(1S,2S,4R)-(-)-α,α-dimethyl-1-vinyl-o-menth-8-ene-4-methanol
CAS number:
639-99-6

No inventory information available

Reference substance information

IUPAC name:
2-(3-isopropenyl-4-methyl-4-vinylcyclohexyl)propan-2-ol
Synonyms
Names:
Allonol
Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, (1R,3S,4S)-
Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, 1R-(1.alpha.,3.alp
Cyclohexanemethanol, 4-ethenyl-?,? ,4-trimethyl-3-(1-methylethenyl)-, [1R-(1?,3?,4ß)]-
Cyclohexanemethanol, 4-​ethenyl-​α,​α,​4-​trimethyl-​3-​(1-​methylethenyl)​-
Identifier:
IUPAC name
(1S,2S,4R)-(-)-α,α-dimethyl-1-vinyl-o-menth-8-ene-4-methanol
Identifier:
IUPAC name
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
Identifier:
IUPAC name
Cyclohexanemethanol,4-ethenyl-α,α-4-trimethyl-3-(1-methylethenyl)-,[1R-(1α,3α,4β)]-
Identifier:
other: InChl
1/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
Identifier:
other: InChl
1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
Identifier:
other: SMILES notation
CC(=C)C1CC(CCC1(C)C=C)C(C)(C)O
Identifier:
other: InChl
InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
Identifier:
other: SMILES notation
OC([C@@H]1CC[C@@](C=C)([C@@H](C(=C)C)C1)C)(C)C

CAS information

CAS number:
639-99-6

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
19078-36-5
Identifier:
CAS number
Identity:
32142-08-8

Molecular and structural information

Molecular formula:
C15H26O
Molecular weight:
222.366
SMILES notation:
CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O
InChl:
InChI=1/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3
Structural formula:
Chemical structure