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W344303

Sigma-Aldrich

Valencene

natural, ≥65%

Synonym(s):
(+)-Valencene, (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
Empirical Formula (Hill Notation):
C15H24
CAS Number:
Molecular Weight:
204.35
FEMA Number:
3443
Beilstein:
3539153
EC Number:
Council of Europe no.:
11030
MDL number:
PubChem Substance ID:
Flavis number:
1.017
NACRES:
NA.21

biological source

oranges

Quality Level

grade

Halal
Kosher
natural

reg. compliance

FDA 21 CFR 117

assay

≥65%

optical activity

[α]22/D +90°, neat

refractive index

n20/D 1.504 (lit.)

bp

274 °C (lit.)

density

0.92 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

grapefruit; citrus; sweet

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 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

25 g in poly bottle
100 g in glass bottle
1 kg in glass bottle

Pictograms

Health hazard

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

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Determination of the role of valencene in orange oil as a direct contributor to aroma quality
Elston A, et al.
Flavour and Fragrance Journal, 20(4), 381-386 (2005)
Synthesis of nootkatone from valencene
Wilson III CW & Shaw PE
Journal of Agricultural and Food Chemistry, 26(6), 1430-1432 (1978)

Protocols

GC Analysis of Sweet Orange Essential Oil on SLB®-5ms (10 m x 0.10 mm I.D., 0.10 µm), Fast GC Analysis

-β-Farnesene; α-Huµlene; Germacrene D; (+)-Valencene; Bicyclogermacrene; (+)-δ-Cadinene

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