72078
(−)-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:
Molecular Weight:
204.35
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352002
MDL number:
Assay:
≥95.0% (sum of enantiomers, GC)
Form:
liquid
InChI key
ZCJQJJWNFDNQGZ-JQXSQYPDSA-N
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
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
Other Notes
Rearrangement product of caryophyllene; Main volatile constituent of ginseng
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
237.2 °F - closed cup
flash_point_c
114 °C - closed cup
ppe
Eyeshields, Gloves
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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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