Valerena-4,7(11)-diene

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  • Identifiers

    CAS number
    351222-66-7

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)C=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 77.76%
    Spicy 54.76%
    Sweet 49.04%
    Herbal 45.75%
    Balsamic 43.13%
    Citrus 40.85%
    Fresh 36.6%
    Dry 34.52%
    Terpenic 34.41%
    Oily 29.47%

     

    Flavor
    Woody 60.77%
    Wood 56.97%
    Spice 40.81%
    Spicy 36.16%
    Balsamic 34.89%
    Sweet 34.42%
    Balsam 33.75%
    Fresh 31.14%
    Herb 29.72%
    Herbal 28.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    10.35 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    278°C

    Flash point

    • 104.0 ˚C est.

  • Synonyms

    • valerena-4,7(11)-diene
    • (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-en-1-yl)-2,4,5,6,7,7a-hexahydro-1H-indene
    • 351222-66-7
    • CHEBI:68625
    • RefChem:193553
    • (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
    • (4S,7R,7aR)-3,7-dimethyl-4-(3,3-dimethylallyl)-2,4,5,6,7,7a-hexahydro-1H-indene
    • valerena-1,10-diene
    • orb2564023
    • SCHEMBL29393501
    • DTXSID801358040
    • HY-N12715
    • CS-1047405
    • C20480
    • G89132
    • Q27137054
    • 351222-66-7

  • Applications

    Valerena-4,7(11)-diene (CAS 351222-66-7) is primarily regarded as a fragrance ingredient in the perfumery and cosmetics industries, usable as an odorant or fragrance component in perfumes, personal care products, and household goods. It may also serve as a precursor or intermediate in the synthesis of terpene-related compounds for fragrance formulation and industrial chemical production. Additionally, it may be evaluated for flavor or aroma applications in food and beverages, or as a fragrance component in coatings and inks. Its usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 217.81
    methanol 90.64
    isopropanol 270.32
    water 0.05
    ethyl acetate 622.39
    n-propanol 288.07
    acetone 482.12
    n-butanol 408.88
    acetonitrile 236.44
    DMF 263.48
    toluene 1108.13
    isobutanol 283.33
    1,4-dioxane 1226.93
    methyl acetate 403.05
    THF 1892.21
    2-butanone 570.27
    n-pentanol 238.34
    sec-butanol 300.8
    n-hexane 442.89
    ethylene glycol 13.21
    NMP 362.77
    cyclohexane 849.94
    DMSO 165.57
    n-butyl acetate 1075.88
    n-octanol 324.38
    chloroform 1172.99
    n-propyl acetate 359.9
    acetic acid 102.26
    dichloromethane 943.27
    cyclohexanone 970.83
    propylene glycol 36.74
    isopropyl acetate 538.52
    DMAc 300.82
    2-ethoxyethanol 171.67
    isopentanol 429.66
    n-heptane 560.6
    ethyl formate 197.79
    1,2-dichloroethane 663.25
    n-hexanol 775.7
    2-methoxyethanol 235.56
    isobutyl acetate 365.3
    tetrachloromethane 340.8
    n-pentyl acetate 458.76
    transcutol 1041.16
    n-heptanol 316.82
    ethylbenzene 441.19
    MIBK 497.81
    2-propoxyethanol 570.25
    tert-butanol 409.0
    MTBE 937.77
    2-butoxyethanol 319.89
    propionic acid 121.99
    o-xylene 511.2
    formic acid 10.58
    diethyl ether 1061.55
    m-xylene 695.15
    p-xylene 518.25
    chlorobenzene 632.67
    dimethyl carbonate 130.25
    n-octane 162.84
    formamide 20.8
    cyclopentanone 884.75
    2-pentanone 637.41
    anisole 475.62
    cyclopentyl methyl ether 1106.77
    gamma-butyrolactone 620.68
    1-methoxy-2-propanol 276.92
    pyridine 881.93
    3-pentanone 525.49
    furfural 386.83
    n-dodecane 102.23
    diethylene glycol 179.55
    diisopropyl ether 514.57
    tert-amyl alcohol 349.45
    acetylacetone 501.0
    n-hexadecane 120.78
    acetophenone 349.87
    methyl propionate 359.2
    isopentyl acetate 1004.61
    trichloroethylene 938.96
    n-nonanol 313.74
    cyclohexanol 512.12
    benzyl alcohol 238.26
    2-ethylhexanol 654.75
    isooctanol 290.95
    dipropyl ether 1188.47
    1,2-dichlorobenzene 482.39
    ethyl lactate 105.75
    propylene carbonate 409.74
    n-methylformamide 82.12
    2-pentanol 358.28
    n-pentane 410.68
    1-propoxy-2-propanol 542.22
    1-methoxy-2-propyl acetate 673.82
    2-(2-methoxypropoxy) propanol 349.1
    mesitylene 456.15
    ε-caprolactone 703.46
    p-cymene 415.77
    epichlorohydrin 759.78
    1,1,1-trichloroethane 804.22
    2-aminoethanol 44.14
    morpholine-4-carbaldehyde 451.25
    sulfolane 441.67
    2,2,4-trimethylpentane 156.62
    2-methyltetrahydrofuran 1526.77
    n-hexyl acetate 670.65
    isooctane 156.95
    2-(2-butoxyethoxy)ethanol 456.39
    sec-butyl acetate 355.49
    tert-butyl acetate 606.92
    decalin 256.3
    glycerin 43.62
    diglyme 817.74
    acrylic acid 74.48
    isopropyl myristate 337.0
    n-butyric acid 321.72
    acetyl acetate 338.14
    di(2-ethylhexyl) phthalate 226.89
    ethyl propionate 341.13
    nitromethane 150.46
    1,2-diethoxyethane 887.38
    benzonitrile 392.42
    trioctyl phosphate 187.3
    1-bromopropane 898.31
    gamma-valerolactone 719.4
    n-decanol 243.19
    triethyl phosphate 226.67
    4-methyl-2-pentanol 285.59
    propionitrile 348.23
    vinylene carbonate 306.2
    1,1,2-trichlorotrifluoroethane 245.98
    DMS 329.62
    cumene 287.96
    2-octanol 235.67
    2-hexanone 442.11
    octyl acetate 379.87
    limonene 653.25
    1,2-dimethoxyethane 556.76
    ethyl orthosilicate 257.22
    tributyl phosphate 225.38
    diacetone alcohol 365.61
    N,N-dimethylaniline 318.21
    acrylonitrile 217.79
    aniline 477.4
    1,3-propanediol 113.58
    bromobenzene 826.63
    dibromomethane 845.55
    1,1,2,2-tetrachloroethane 774.8
    2-methyl-cyclohexyl acetate 493.57
    tetrabutyl urea 269.82
    diisobutyl methanol 360.18
    2-phenylethanol 438.56
    styrene 471.85
    dioctyl adipate 339.54
    dimethyl sulfate 129.05
    ethyl butyrate 639.6
    methyl lactate 92.98
    butyl lactate 225.46
    diethyl carbonate 339.46
    propanediol butyl ether 208.99
    triethyl orthoformate 451.27
    p-tert-butyltoluene 405.96
    methyl 4-tert-butylbenzoate 361.96
    morpholine 1074.81
    tert-butylamine 422.2
    n-dodecanol 195.84
    dimethoxymethane 433.44
    ethylene carbonate 322.85
    cyrene 226.66
    2-ethoxyethyl acetate 502.4
    2-ethylhexyl acetate 895.75
    1,2,4-trichlorobenzene 525.49
    4-methylpyridine 926.14
    dibutyl ether 734.57
    2,6-dimethyl-4-heptanol 360.18
    DEF 469.5
    dimethyl isosorbide 620.03
    tetrachloroethylene 490.4
    eugenol 265.26
    triacetin 363.05
    span 80 347.22
    1,4-butanediol 44.09
    1,1-dichloroethane 732.3
    2-methyl-1-pentanol 291.28
    methyl formate 75.21
    2-methyl-1-butanol 364.48
    n-decane 185.86
    butyronitrile 500.46
    3,7-dimethyl-1-octanol 376.23
    1-chlorooctane 417.05
    1-chlorotetradecane 180.75
    n-nonane 201.67
    undecane 130.77
    tert-butylcyclohexane 216.19
    cyclooctane 392.97
    cyclopentanol 397.34
    tetrahydropyran 1882.05
    tert-amyl methyl ether 609.2
    2,5,8-trioxanonane 517.25
    1-hexene 713.1
    2-isopropoxyethanol 199.1
    2,2,2-trifluoroethanol 32.69
    methyl butyrate 376.58

    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