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Merck
CN

W344303

Valencene

greener alternative

natural, ≥65%

Synonym(s):

(+)-Valencene, (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:
4630-07-3
Molecular Weight:
204.35
FEMA Number:
3443
Council of Europe no.:
11030
UNSPSC Code:
12164502
PubChem Substance ID:
24901709
Flavis number:
1.017
EC Number:
225-047-6
NACRES:
NA.21
MDL number:
MFCD00075884
Beilstein/REAXYS Number:
3539153
Organoleptic:
grapefruit; citrus; sweet
Grade:
Halal, Kosher, natural
Biological source:
oranges
Food allergen:
no known allergens

Key Documents

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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

biological source

oranges

grade

Halal, Kosher, natural

reg. compliance

FDA 21 CFR 117

optical activity

[α]22/D +90°, neat

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

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

greener alternative category

Aligned

organoleptic

grapefruit; citrus; sweet

Quality Level

300, 400

Related Categories

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.
We are committed to bringing you greener alternative products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

Disclaimer

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

pictograms

Health hazard
GHS08

signalword

Danger

hcodes

H304

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, multi-purpose combination respirator cartridge (US)

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT3492
SHBT2255
SHBS4319
SHBR1297
MKCG4015

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Synthesis of nootkatone from valencene
Wilson III CW & Shaw PE
Journal of Agricultural and Food Chemistry, 26(6), 1430-1432 (1978)
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)

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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