Synonym: (+)-Valencene; (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CAS Number: 4630-07-3
Empirical Formula (Hill Notation): C15H24
Molecular Weight: 204.35
EC Number: 225-047-6
MDL Number: MFCD00075884
Linear Formula: C15H24
Product Type: Chemical
application(s) |
flavors and fragrances |
biological source |
oranges |
bp |
274 °C (lit.) |
concentration |
≥65% |
density |
0.92 g/mL at 25 °C (lit.) |
documentation |
see Safety & Documentation for available documents |
food allergen |
no known allergens |
grade |
Halal |
|
Kosher |
|
natural |
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 |
optical activity |
[α]22/D +90°, neat |
organoleptic |
grapefruit; citrus; sweet |
Quality Level |
400 |
refractive index |
n20/D 1.504 (lit.) |
reg. compliance |
FDA 21 CFR 117 |
SMILES string |
C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C |
Disclaimer: |
For R&D or non-EU Food use. Not for retail sale. |
General description: |
Valencene is the major sesquiterpene aroma constituent of orange peel oil. It is mainly used as a starting material to synthesize nootkatone, an important flavor compound of grapefruit. |
Packaging: |
1 kg in glass bottle |
Packaging: |
100 g in glass bottle |
Packaging: |
25 g in poly bottle |
RIDADR |
NONH for all modes of transport |
WGK Germany |
WGK 3 |
Flash Point(F) |
212.0 °F - closed cup |
Flash Point(C) |
100 °C - closed cup |
bp |
274 °C (lit.) |
Density |
0.92 g/mL at 25 °C (lit.) |
Refractive Index |
n20/D 1.504 (lit.) |
FEMA Number |
3443 |
UNSPSC |
12164502 |