Isohelianol

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  • Identifiers

    CAS number
    203570-12-1

    Molecular formula
    C30H52O

    SMILES
    C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CCC(=C(C)C)[C@H]3CCCO)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.42%
    Sandalwood 55.48%
    Amber 47.33%
    Waxy 44.66%
    Sweet 42.25%
    Balsamic 41.5%
    Dry 40.0%
    Powdery 36.1%
    Floral 34.18%
    Vetiver 33.27%

     

    Flavor
    Woody 64.87%
    Wood 43.4%
    Sweet 39.07%
    Balsam 38.79%
    Floral 31.01%
    Balsamic 29.98%
    Waxy 29.58%
    Amber 27.46%
    Mild 27.3%
    Spice 25.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    8.32 (weak base)

    Molecular weight
    428.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    507°C

    Flash point

    • 210.38 ˚C est.

  • Synonyms

    • isohelianol
    • CHEMBL463551
    • SCHEMBL31238206
    • DTXSID201101267
    • 203570-12-1
    • (3S,3aS,5aS,6S,9aS,9bR)-3-[(1R)-1,5-Dimethyl-4-hexen-1-yl]dodecahydro-3a,5a,9b-trimethyl-7-(1-methylethylidene)-1H-benz[e]indene-6-propanol
    • 203570-12-1

  • Applications

    Isohelianol (CAS 203570-12-1) is commonly used as an industrial solvent and chemical intermediate, with applications across several sectors. In perfumery and cosmetics, it can serve as a fragrance ingredient or solvent/carrier for other aroma compounds, and may act as a fixative in formulations. In household cleaning products, it provides solvency for cleaners and fragrance components. In coatings and inks, it functions as a solvent and processing aid to improve flow and compatibility. In industrial manufacturing, it is used as a building block to synthesize ester derivatives and other specialty chemicals. In polymers and plastics, isohelianol may be used as an intermediate to synthesize functional esters or as a processing aid in resin systems. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.78
    methanol 4.71
    isopropanol 21.55
    water 0.06
    ethyl acetate 50.68
    n-propanol 30.15
    acetone 44.67
    n-butanol 37.24
    acetonitrile 9.41
    DMF 58.03
    toluene 88.77
    isobutanol 29.64
    1,4-dioxane 97.71
    methyl acetate 28.72
    THF 165.4
    2-butanone 51.55
    n-pentanol 24.52
    sec-butanol 21.1
    n-hexane 5.68
    ethylene glycol 1.36
    NMP 85.1
    cyclohexane 10.05
    DMSO 18.92
    n-butyl acetate 57.67
    n-octanol 23.66
    chloroform 128.39
    n-propyl acetate 38.17
    acetic acid 15.54
    dichloromethane 69.97
    cyclohexanone 100.27
    propylene glycol 3.79
    isopropyl acetate 63.77
    DMAc 93.27
    2-ethoxyethanol 34.78
    isopentanol 40.53
    n-heptane 6.41
    ethyl formate 12.8
    1,2-dichloroethane 49.67
    n-hexanol 36.45
    2-methoxyethanol 35.53
    isobutyl acetate 45.36
    tetrachloromethane 29.39
    n-pentyl acetate 72.93
    transcutol 168.18
    n-heptanol 35.18
    ethylbenzene 33.83
    MIBK 64.03
    2-propoxyethanol 87.07
    tert-butanol 27.08
    MTBE 52.38
    2-butoxyethanol 81.36
    propionic acid 17.11
    o-xylene 48.6
    formic acid 2.77
    diethyl ether 64.95
    m-xylene 64.61
    p-xylene 37.14
    chlorobenzene 63.51
    dimethyl carbonate 29.46
    n-octane 2.1
    formamide 4.33
    cyclopentanone 107.04
    2-pentanone 62.97
    anisole 65.88
    cyclopentyl methyl ether 98.55
    gamma-butyrolactone 76.48
    1-methoxy-2-propanol 57.26
    pyridine 78.9
    3-pentanone 55.17
    furfural 62.01
    n-dodecane 0.89
    diethylene glycol 27.73
    diisopropyl ether 31.39
    tert-amyl alcohol 24.01
    acetylacetone 81.35
    n-hexadecane 1.13
    acetophenone 57.36
    methyl propionate 47.62
    isopentyl acetate 76.35
    trichloroethylene 114.2
    n-nonanol 26.7
    cyclohexanol 36.91
    benzyl alcohol 37.22
    2-ethylhexanol 32.17
    isooctanol 35.01
    dipropyl ether 55.84
    1,2-dichlorobenzene 65.53
    ethyl lactate 21.96
    propylene carbonate 47.32
    n-methylformamide 13.52
    2-pentanol 28.91
    n-pentane 7.34
    1-propoxy-2-propanol 76.81
    1-methoxy-2-propyl acetate 108.32
    2-(2-methoxypropoxy) propanol 65.07
    mesitylene 38.93
    ε-caprolactone 90.22
    p-cymene 30.83
    epichlorohydrin 88.92
    1,1,1-trichloroethane 75.58
    2-aminoethanol 6.12
    morpholine-4-carbaldehyde 104.15
    sulfolane 81.98
    2,2,4-trimethylpentane 5.25
    2-methyltetrahydrofuran 88.02
    n-hexyl acetate 70.76
    isooctane 5.01
    2-(2-butoxyethoxy)ethanol 82.26
    sec-butyl acetate 40.54
    tert-butyl acetate 85.72
    decalin 6.53
    glycerin 7.51
    diglyme 161.35
    acrylic acid 13.02
    isopropyl myristate 28.3
    n-butyric acid 39.59
    acetyl acetate 44.84
    di(2-ethylhexyl) phthalate 33.81
    ethyl propionate 41.39
    nitromethane 25.36
    1,2-diethoxyethane 72.19
    benzonitrile 36.09
    trioctyl phosphate 23.66
    1-bromopropane 39.28
    gamma-valerolactone 147.28
    n-decanol 16.26
    triethyl phosphate 32.76
    4-methyl-2-pentanol 27.7
    propionitrile 21.5
    vinylene carbonate 45.86
    1,1,2-trichlorotrifluoroethane 62.71
    DMS 53.81
    cumene 24.45
    2-octanol 21.45
    2-hexanone 42.53
    octyl acetate 32.72
    limonene 35.72
    1,2-dimethoxyethane 72.89
    ethyl orthosilicate 38.3
    tributyl phosphate 22.41
    diacetone alcohol 65.07
    N,N-dimethylaniline 50.43
    acrylonitrile 19.58
    aniline 56.51
    1,3-propanediol 16.92
    bromobenzene 78.81
    dibromomethane 53.41
    1,1,2,2-tetrachloroethane 100.99
    2-methyl-cyclohexyl acetate 59.44
    tetrabutyl urea 34.4
    diisobutyl methanol 26.1
    2-phenylethanol 54.84
    styrene 35.35
    dioctyl adipate 43.13
    dimethyl sulfate 43.99
    ethyl butyrate 51.52
    methyl lactate 23.22
    butyl lactate 54.17
    diethyl carbonate 32.17
    propanediol butyl ether 48.08
    triethyl orthoformate 56.87
    p-tert-butyltoluene 32.0
    methyl 4-tert-butylbenzoate 91.56
    morpholine 99.52
    tert-butylamine 22.19
    n-dodecanol 10.03
    dimethoxymethane 81.52
    ethylene carbonate 41.77
    cyrene 60.44
    2-ethoxyethyl acetate 101.92
    2-ethylhexyl acetate 64.85
    1,2,4-trichlorobenzene 82.13
    4-methylpyridine 85.19
    dibutyl ether 28.36
    2,6-dimethyl-4-heptanol 26.1
    DEF 62.7
    dimethyl isosorbide 115.84
    tetrachloroethylene 65.63
    eugenol 76.57
    triacetin 82.36
    span 80 57.56
    1,4-butanediol 6.98
    1,1-dichloroethane 53.04
    2-methyl-1-pentanol 28.8
    methyl formate 9.62
    2-methyl-1-butanol 36.62
    n-decane 2.78
    butyronitrile 24.66
    3,7-dimethyl-1-octanol 27.83
    1-chlorooctane 15.65
    1-chlorotetradecane 3.91
    n-nonane 2.45
    undecane 1.45
    tert-butylcyclohexane 6.46
    cyclooctane 5.06
    cyclopentanol 29.75
    tetrahydropyran 100.88
    tert-amyl methyl ether 44.05
    2,5,8-trioxanonane 90.65
    1-hexene 16.8
    2-isopropoxyethanol 37.58
    2,2,2-trifluoroethanol 10.1
    methyl butyrate 41.46

    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