W344303

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: 4630-07-3
• Molecular Weight: 204.35
• FEMA Number: 3443
• Beilstein: 3539153
• EC Number: 225-047-6
• Council of Europe no.: 11030
• MDL number: MFCD00075884
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901709
• Flavis number: 1.017
• NACRES: NA.21

Properties

• biological source: oranges
• Quality Level: 400
• grade: Halal; Kosher; natural
• reg. compliance: FDA 21 CFR 117
• optical activity: [α]22/D +90°, neat
• concentration: ≥65%
• 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

Description

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.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Safety Information

• Pictograms: GHS08
• Signal Word: Danger
• Hazard Statements: H304
• Precautionary Statements: P301 + P310 - P331 - P405 - P501
• 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