Valencene

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  • Identifiers

    CAS number
    4630-07-3

    Molecular formula
    C15H24

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

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1504.0
    • Carbowax: 1727.0

  • Odor profile

    Woody 80.63%
    Sweet 66.82%
    Citrus 51.47%
    Terpenic 49.69%
    Green 49.67%
    Spicy 47.63%
    Herbal 46.72%
    Fresh 45.89%
    Oily 40.6%
    Pine 40.57%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point est.
    96.89 ˚C

    Solubility expt.

    • 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)

  • Applications

    Valencene (CAS 4630-07-3) is an aromatic sesquiterpene predominantly extracted from Valencia orange peel, widely utilized as a fresh, citrus-like flavoring in soft drinks, chewing gum, confectionery, liquid seasonings and alcoholic beverages; it serves as a key note in perfumes, soaps, detergents and scented candles due to its sweet, zesty orange nuance; it is also a biotechnological precursor for oxidation into nootkatone, an odorant valued for insect-repellent and deodorizing properties; furthermore, valencene appears in certain skincare formulas, diffuser oils and traditional herbal remedies where its antioxidant, anti-inflammatory and mood-enhancing attributes are appreciated.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 439.05
    methanol 186.55
    isopropanol 557.52
    water 0.08
    ethyl acetate 1060.57
    n-propanol 546.35
    acetone 674.59
    n-butanol 663.79
    acetonitrile 420.55
    DMF 505.61
    toluene 1569.76
    isobutanol 406.68
    1,4-dioxane 2141.74
    methyl acetate 654.71
    THF 3098.3
    2-butanone 894.44
    n-pentanol 259.03
    sec-butanol 412.12
    n-hexane 197.03
    ethylene glycol 15.14
    NMP 289.18
    cyclohexane 561.73
    DMSO 228.38
    n-butyl acetate 1477.12
    n-octanol 276.14
    chloroform 1499.54
    n-propyl acetate 467.0
    acetic acid 108.04
    dichloromethane 1284.28
    cyclohexanone 1061.96
    propylene glycol 42.13
    isopropyl acetate 814.74
    DMAc 432.98
    2-ethoxyethanol 258.72
    isopentanol 564.38
    n-heptane 343.8
    ethyl formate 332.06
    1,2-dichloroethane 863.78
    n-hexanol 840.17
    2-methoxyethanol 449.75
    isobutyl acetate 398.84
    tetrachloromethane 373.49
    n-pentyl acetate 545.96
    transcutol 1887.81
    n-heptanol 291.71
    ethylbenzene 464.07
    MIBK 646.55
    2-propoxyethanol 828.42
    tert-butanol 719.79
    MTBE 1481.37
    2-butoxyethanol 368.78
    propionic acid 159.52
    o-xylene 583.86
    formic acid 15.65
    diethyl ether 1742.2
    m-xylene 877.55
    p-xylene 506.17
    chlorobenzene 735.88
    dimethyl carbonate 209.4
    n-octane 94.67
    formamide 44.11
    cyclopentanone 1037.65
    2-pentanone 887.51
    anisole 667.75
    cyclopentyl methyl ether 1272.02
    gamma-butyrolactone 732.87
    1-methoxy-2-propanol 501.61
    pyridine 1382.25
    3-pentanone 659.04
    furfural 506.96
    n-dodecane 53.95
    diethylene glycol 226.63
    diisopropyl ether 611.4
    tert-amyl alcohol 455.59
    acetylacetone 720.12
    n-hexadecane 65.99
    acetophenone 414.48
    methyl propionate 590.7
    isopentyl acetate 1234.17
    trichloroethylene 1220.79
    n-nonanol 266.99
    cyclohexanol 529.13
    benzyl alcohol 264.13
    2-ethylhexanol 564.46
    isooctanol 257.1
    dipropyl ether 1437.64
    1,2-dichlorobenzene 524.23
    ethyl lactate 112.76
    propylene carbonate 424.65
    n-methylformamide 169.05
    2-pentanol 452.9
    n-pentane 269.68
    1-propoxy-2-propanol 811.7
    1-methoxy-2-propyl acetate 981.09
    2-(2-methoxypropoxy) propanol 421.6
    mesitylene 530.56
    ε-caprolactone 766.49
    p-cymene 443.32
    epichlorohydrin 1058.87
    1,1,1-trichloroethane 906.0
    2-aminoethanol 64.31
    morpholine-4-carbaldehyde 590.85
    sulfolane 436.69
    2,2,4-trimethylpentane 107.19
    2-methyltetrahydrofuran 1839.27
    n-hexyl acetate 700.33
    isooctane 137.64
    2-(2-butoxyethoxy)ethanol 595.99
    sec-butyl acetate 420.33
    tert-butyl acetate 875.42
    decalin 161.91
    glycerin 51.67
    diglyme 1203.34
    acrylic acid 85.17
    isopropyl myristate 328.25
    n-butyric acid 476.08
    acetyl acetate 489.41
    di(2-ethylhexyl) phthalate 219.24
    ethyl propionate 450.14
    nitromethane 243.71
    1,2-diethoxyethane 1635.44
    benzonitrile 472.07
    trioctyl phosphate 155.41
    1-bromopropane 1011.93
    gamma-valerolactone 989.38
    n-decanol 196.82
    triethyl phosphate 235.83
    4-methyl-2-pentanol 339.17
    propionitrile 676.37
    vinylene carbonate 402.44
    1,1,2-trichlorotrifluoroethane 254.24
    DMS 416.04
    cumene 288.6
    2-octanol 214.0
    2-hexanone 473.84
    octyl acetate 351.08
    limonene 596.99
    1,2-dimethoxyethane 910.19
    ethyl orthosilicate 267.79
    tributyl phosphate 196.13
    diacetone alcohol 478.91
    N,N-dimethylaniline 390.97
    acrylonitrile 435.63
    aniline 706.49
    1,3-propanediol 196.09
    bromobenzene 956.53
    dibromomethane 1001.36
    1,1,2,2-tetrachloroethane 867.76
    2-methyl-cyclohexyl acetate 510.2
    tetrabutyl urea 253.68
    diisobutyl methanol 399.49
    2-phenylethanol 513.24
    styrene 522.21
    dioctyl adipate 344.41
    dimethyl sulfate 166.22
    ethyl butyrate 833.92
    methyl lactate 122.24
    butyl lactate 242.0
    diethyl carbonate 441.97
    propanediol butyl ether 225.71
    triethyl orthoformate 538.93
    p-tert-butyltoluene 468.05
    methyl 4-tert-butylbenzoate 423.19
    morpholine 1933.17
    tert-butylamine 661.83
    n-dodecanol 154.24
    dimethoxymethane 867.3
    ethylene carbonate 398.17
    cyrene 206.72
    2-ethoxyethyl acetate 678.53
    2-ethylhexyl acetate 1011.86
    1,2,4-trichlorobenzene 547.05
    4-methylpyridine 1336.44
    dibutyl ether 798.0
    2,6-dimethyl-4-heptanol 399.49
    DEF 624.03
    dimethyl isosorbide 813.97
    tetrachloroethylene 531.99
    eugenol 307.06
    triacetin 424.09
    span 80 347.56
    1,4-butanediol 44.72
    1,1-dichloroethane 972.56
    2-methyl-1-pentanol 263.51
    methyl formate 132.05
    2-methyl-1-butanol 430.02
    n-decane 105.25
    butyronitrile 818.41
    3,7-dimethyl-1-octanol 369.86
    1-chlorooctane 301.55
    1-chlorotetradecane 124.61
    n-nonane 107.36
    undecane 71.75
    tert-butylcyclohexane 154.51
    cyclooctane 224.11
    cyclopentanol 413.38
    tetrahydropyran 2785.04
    tert-amyl methyl ether 734.46
    2,5,8-trioxanonane 739.26
    1-hexene 492.84
    2-isopropoxyethanol 241.97
    2,2,2-trifluoroethanol 36.0
    methyl butyrate 494.85

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

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%