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72078

Sigma-Aldrich

(−)-α-Neoclovene

≥95.0% (sum of enantiomers, GC)

Synonym(s):

(1S,7aS)-1,2,3,6,7,7a-Hexahydro-2,2,4,7a-tetramethyl-1,3a-ethano-3aH-indene

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About This Item

Empirical Formula (Hill Notation):
C15H24
CAS Number:
4545-68-0
Molecular Weight:
204.35
MDL number:
MFCD00077832
UNSPSC Code:
12352002
PubChem Substance ID:
57652398
NACRES:
NA.22

Assay

≥95.0% (sum of enantiomers, GC)

form

liquid

optical activity

[α]20/D −79±2°, neat

refractive index

n20/D 1.508

density

0.951 g/mL at 20 °C (lit.)

storage temp.

2-8°C

SMILES string

CC1=CCC[C@@]2(C)C3CC[C@@]12CC3(C)C

InChI

1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12?,14-,15+/m0/s1

InChI key

ZCJQJJWNFDNQGZ-JQXSQYPDSA-N

Other Notes

Rearrangement product of caryophyllene; Main volatile constituent of ginseng

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

237.2 °F - closed cup

Flash Point(C)

114 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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W. Parker et al.
Journal of the Chemical Society, 2634-2634 (1969)
K. Yoshihara et al.
Bulletin of the Chemical Society of Japan, 48, 2078-2078 (1975)

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