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Merck
CN

75056

(+)-Valencene

technical, ≥70%

Synonym(s):

(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
UNSPSC Code:
12352002
NACRES:
NA.22
PubChem Substance ID:
57652542
EC Number:
225-047-6
Beilstein/REAXYS Number:
3539153
MDL number:
MFCD00075884

Key Documents

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Product Name

(+)-Valencene, technical, ≥70%

InChI key

QEBNYNLSCGVZOH-NFAWXSAZSA-N

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

SMILES string

C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C

grade

technical

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

Quality Level

100

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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.

General description

(+)-Valencene is a sesquiterpene, which contains decalin framework and two methyl-bearing stereocenters. It is an aroma component of citrus fruit.

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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB0490
STBL3113
BCCJ3704
BCCD9597
BCCB6449

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CitAP2. 10 activation of the terpene synthase CsTPS1 is associated with the synthesis of (+)-valencene in 'Newhall'orange.
Shen SL, et al.
Journal of Experimental Botany, 67(14), 4105-4115 (2016)
Synthesis of (+)-Lineariifolianone and Related Cyclopropenone-Containing Sesquiterpenoids
Reber KP, et al.
The Journal of Organic Chemistry, 84(9), 5524-5534 (2019)
One-pot synthesis of (+)-nootkatone via dark singlet oxygenation of valencene: The triple role of the amphiphilic molybdate catalyst
Hong B, et al.
Catalysts, 6(12), 184-184 (2016)
Optimization by Response Surface Methodology (RSM) of the Kharasch-Sosnovsky Oxidation of Valencene
Garcia-Cabeza AL, et al.
Organic Process Research & Development, 19(11), 1662-1666 (2015)
One-Pot Synthesis of (+)-Nootkatone via Dark Singlet Oxygenation of Valencene: The Triple Role of the Amphiphilic Molybdate Catalyst.
Hong B, et al.
Catalysts, 6(12), 184-184 (2016)
View All Related Papers

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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