75056
(+)-Valencene
technical, ≥70%
Synonym(s):
(3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
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About This Item
Empirical Formula (Hill Notation):
C15H24
CAS Number:
Molecular Weight:
204.35
UNSPSC Code:
12352002
NACRES:
NA.22
PubChem Substance ID:
EC Number:
225-047-6
Beilstein/REAXYS Number:
3539153
MDL number:
Assay:
≥70%
Form:
liquid
grade
technical
Quality Segment
assay
≥70%
form
liquid
optical activity
[α]20/D +100±25°, neat
refractive index
n20/D 1.504 (lit.)
bp
274 °C (lit.)
density
0.92 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C
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
InChI key
QEBNYNLSCGVZOH-NFAWXSAZSA-N
General description
(+)-Valencene is a sesquiterpene, which contains decalin framework and two methyl-bearing stereocenters. It is an aroma component of citrus fruit.
Application
(+)-Valencene can be used as a precursor to prepare:
- (+)-Nootkatone (a sesquiterpene) by dark singlet oxygenation.
- Benzoyloxyvalencene by reacting with tert-butyl peroxy benzoate via Kharasch−Sosnovsky allylic oxidation method.
- (+)-Lineariifolianone, a natural product.
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signalword
Danger
hcodes
Hazard Classifications
Asp. Tox. 1
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
212.0 °F - closed cup
flash_point_c
100 °C - closed cup
ppe
Eyeshields, Gloves
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