Valencene

  • Identifiers

    CAS mumber
    4630-07-3

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C

    Retention indicies (RI)

    • DB5: 1504.0
    • Carbowax: 1727.0

  • Properties

    XLogP3-AA
    5.2 Well soluble in BB, IPM, DOA

    Molecular weight
    204.35 g/mol

    Solubilities

    • Insoluble in water; soluble in oils
    • Insoluble (in ethanol)

  • Synonyms

    • Valencene
    • (+)-Valencene
    • 4630-07-3
    • Valencen
    • Valencene (natural)
    • FEMA No. 3443
    • (3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
    • DTXSID8047052
    • CHEBI:61700
    • 96H21P91IG
    • VALENCENE [FHFI]
    • Valencene (Technical Grade)
    • ent-7betaH-eremophila-10(1),11-diene
    • DTXCID6027052
    • EINECS 225-047-6
    • NSC 148969
    • NSC-148969
    • 4Betah,5alpha-eremophila-1(10),11-diene
    • (+)-Valencene 1000 microg/mL in Isopropanol
    • (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
    • Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-
    • 4.beta.H,5.alpha.-Eremophila-1(10),11-diene
    • (1R-(1alpha,7beta,8alpha))-1,2,3,5,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene
    • 4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin
    • 4alpha,10alpha-Dimethyl-6beta-isopropyl-.DELTA.1,9-octalin
    • (3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
    • 1,2,3,5,6,7,8,8a-Octahydro-1,8A-dimethyl-7-(1-methylethenyl)naphthalene, (1R-(1alpha,7beta,8aalpha))-
    • NAPHTHALENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,7.BETA.,8A.ALPHA.))-
    • Naphthalene, 1,2,3,5,6,7,8,8A-octahydro-1,8A-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))-
    • Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,7.beta.,8a.alpha.)]-
    • MFCD00075884
    • Valencene (Standard)
    • (A+/-)-valencene
    • VALENCENE [INCI]
    • (+)-Valencene, tech grade
    • UNII-96H21P91IG
    • Valencene, natural, >=65%
    • CHEMBL3186909
    • HY-N6636R
    • (+)-Valencene, analytical standard
    • HY-N6636
    • Tox21_302397
    • (+)-Valencene, technical, >=70%
    • AKOS027460688
    • FV60312
    • NCGC00256249-01
    • AC-37598
    • MS-23110
    • CAS-4630-07-3
    • CS-0044199
    • C17277
    • F71379
    • Q289496
    • 4betaH,5alpha-Eremophila-1(10),11-diene (8CI)
1 3

Botanical

Name CAS Botanical Proportion
Atractylis Atractylodes lancea (Thunb.) DC. (A. ovata Thunb.; A. chinensis (Bunge)DC) 2.0%
Lemon (Spain) 7 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.1%
Mandarin (Spain) 1 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.26%
Grapefruit (USA) 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 5 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 6 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Israel) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Lovage root (France) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.14%
Neroli bigarade (bitter orange flower) Spain 2 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Orange, bitter (Spain) 1 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.02%
Orange, sweet (USA-Florida) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Midseason, fam. Rutaceae 0.05%
Orange, sweet (USA-Florida) 4 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.06%
Orange, sweet (Israel) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.05%
Orange, sweet (Israel) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Shamouti, fam. Rutaceae 0.05%
Orange, sweet (Italy) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.05%
Orange, sweet (Spain) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.05%
Orange, sweet (USA-California) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Navel, fam. Rutaceae 0.08%
Orange, sweet (USA-Florida) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.06%
Orange, sweet (USA-Florida) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Brazil, fam. Rutaceae 0.04%
Orange, sweet (USA-California) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.08%
Orange, sweet (USA-Florida) 5 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.05%
Orange, sweet (USA-Florida) 6 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.05%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange leaf, sweet (Israel) 1 Citrus sinensis (L.) Osbeck, cultivar Jaffa (Shamouti), fam. Rutaceae 0.02%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 0.04%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.18%
Mandarin leaf (Petitgrain mandarin.) (Israel) 1 Citrus reticulata Blanco, cultivar Balady, fam. Rutaceae 0.05%
Orange, sweet (USA-Florida) 7 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange, sweet (Italy) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange, sweet (Spain) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Navel, fam. Rutaceae 0.01%
Orange, sweet (Spain) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Sanguine, fam. Rutaceae 0.01%
Orange, sweet (Taiwan) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Tankan, fam. Rutaceae 0.01%
Orange, sweet (USA) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.02%
Orange, sweet (Mexico) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.02%
Orange, sweet (Italy) 4 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.03%
Orange, sweet (Brazil) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Pera, fam. Rutaceae 0.2%
Orange, sweet (Brazil) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Hamlin, fam. Rutaceae 0.3%
Orange, sweet (Brazil) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Peralima, fam. Rutaceae 0.01%
Orange, sweet, deterpenized 8008-57-9 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.1%
Tangerine (USA-Florida) 2 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.03%
Lemon (Japan) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.53%
Grapefruit (Japan) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Orange, bitter (Brazil) 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.29%
Orange, bitter 1 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Orange, sweet (Italy) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.08%
Orange, sweet (China) 1, Wenzhou 8028-48-6 Citrus sinensis (L.) Osbeck, Wenzhou honey orange, fam. Rutaceae 0.03%
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.5%
Thyme 4 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Orange, sweet (Uruguay) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.05%