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About This Item
Empirical Formula (Hill Notation):
C15H24
CAS Number:
Molecular Weight:
204.35
Beilstein:
3539153
EC Number:
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
NACRES:
NA.22
grade
technical
Quality Level
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
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Asp. Tox. 1
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
212.0 °F - closed cup
Flash Point(C)
100 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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