Heliantriol C

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  • Identifiers

    CAS number
    71876-60-3

    Molecular formula
    C30H50O3

    SMILES
    C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2([C@H](C=C1C)O)C)O)C)C)(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.51%
    Spicy 47.78%
    Balsamic 47.25%
    Sweet 45.89%
    Camphoreous 42.96%
    Earthy 42.34%
    Amber 42.09%
    Cedar 39.65%
    Herbal 38.97%
    Dry 38.64%

     

    Flavor
    Woody 64.07%
    Herbal 53.41%
    Camphor 51.75%
    Pine 51.53%
    Balsam 47.69%
    Earthy 43.17%
    Sweet 42.03%
    Spicy 38.11%
    Earth 35.43%
    Fresh 34.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    6.71 (neutral)

    Molecular weight
    458.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    115°C

    Flash point

    • 246.6 ˚C est.

  • Synonyms

    • Heliantriol C
    • 71876-60-3
    • RefChem:145467
    • (3S,4aR,6aR,6aR,6bR,8S,8aS,9S,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8,9-triol
    • DTXSID101317766
    • 18alpha,19alpha-Urs-20-ene-3beta,16beta,22alpha-triol
    • 71876-60-3

  • Applications

    Heliantriol C (CAS 71876-60-3) is a natural polyol that can be used as an intermediate in the synthesis of polyols for polyurethane and other polymers; it is viewed as a humectant and emollient in cosmetic and personal care formulations; it can act as a solvent or co-solvent in cleaning and household products; it serves as an additive to adjust viscosity and aid dispersion in plastics, coatings, and adhesives; and it is evaluated for applications in printing inks and coatings as a polyol additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.85
    methanol 4.28
    isopropanol 2.84
    water 0.01
    ethyl acetate 2.66
    n-propanol 5.35
    acetone 3.75
    n-butanol 4.69
    acetonitrile 0.99
    DMF 19.43
    toluene 3.21
    isobutanol 3.39
    1,4-dioxane 13.08
    methyl acetate 2.26
    THF 23.66
    2-butanone 4.41
    n-pentanol 3.32
    sec-butanol 1.76
    n-hexane 0.17
    ethylene glycol 0.62
    NMP 15.21
    cyclohexane 0.16
    DMSO 6.84
    n-butyl acetate 3.37
    n-octanol 2.72
    chloroform 8.0
    n-propyl acetate 2.24
    acetic acid 2.72
    dichloromethane 4.33
    cyclohexanone 7.04
    propylene glycol 1.16
    isopropyl acetate 2.89
    DMAc 14.35
    2-ethoxyethanol 7.38
    isopentanol 3.31
    n-heptane 0.21
    ethyl formate 1.54
    1,2-dichloroethane 2.88
    n-hexanol 4.04
    2-methoxyethanol 10.49
    isobutyl acetate 2.48
    tetrachloromethane 1.49
    n-pentyl acetate 6.11
    transcutol 17.97
    n-heptanol 5.12
    ethylbenzene 1.7
    MIBK 3.59
    2-propoxyethanol 18.03
    tert-butanol 2.28
    MTBE 2.41
    2-butoxyethanol 15.62
    propionic acid 2.32
    o-xylene 1.84
    formic acid 1.45
    diethyl ether 3.22
    m-xylene 2.63
    p-xylene 1.8
    chlorobenzene 3.12
    dimethyl carbonate 3.3
    n-octane 0.09
    formamide 1.98
    cyclopentanone 10.97
    2-pentanone 4.19
    anisole 4.89
    cyclopentyl methyl ether 6.27
    gamma-butyrolactone 8.62
    1-methoxy-2-propanol 12.26
    pyridine 9.91
    3-pentanone 3.31
    furfural 8.29
    n-dodecane 0.04
    diethylene glycol 8.21
    diisopropyl ether 0.99
    tert-amyl alcohol 1.66
    acetylacetone 5.2
    n-hexadecane 0.05
    acetophenone 4.64
    methyl propionate 3.87
    isopentyl acetate 4.32
    trichloroethylene 7.24
    n-nonanol 3.25
    cyclohexanol 2.12
    benzyl alcohol 4.73
    2-ethylhexanol 2.27
    isooctanol 4.09
    dipropyl ether 3.25
    1,2-dichlorobenzene 3.0
    ethyl lactate 2.32
    propylene carbonate 3.64
    n-methylformamide 4.75
    2-pentanol 1.83
    n-pentane 0.17
    1-propoxy-2-propanol 12.39
    1-methoxy-2-propyl acetate 9.06
    2-(2-methoxypropoxy) propanol 8.71
    mesitylene 1.43
    ε-caprolactone 6.35
    p-cymene 1.57
    epichlorohydrin 10.43
    1,1,1-trichloroethane 2.48
    2-aminoethanol 2.43
    morpholine-4-carbaldehyde 21.14
    sulfolane 11.51
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 5.83
    n-hexyl acetate 5.89
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 12.87
    sec-butyl acetate 1.85
    tert-butyl acetate 4.01
    decalin 0.18
    glycerin 2.63
    diglyme 22.24
    acrylic acid 2.29
    isopropyl myristate 1.56
    n-butyric acid 3.93
    acetyl acetate 2.39
    di(2-ethylhexyl) phthalate 3.43
    ethyl propionate 2.29
    nitromethane 4.18
    1,2-diethoxyethane 4.87
    benzonitrile 2.98
    trioctyl phosphate 2.31
    1-bromopropane 1.5
    gamma-valerolactone 19.59
    n-decanol 1.53
    triethyl phosphate 2.1
    4-methyl-2-pentanol 1.72
    propionitrile 1.89
    vinylene carbonate 4.42
    1,1,2-trichlorotrifluoroethane 9.09
    DMS 4.37
    cumene 1.26
    2-octanol 2.12
    2-hexanone 3.11
    octyl acetate 2.38
    limonene 1.56
    1,2-dimethoxyethane 10.82
    ethyl orthosilicate 2.42
    tributyl phosphate 1.77
    diacetone alcohol 5.7
    N,N-dimethylaniline 4.28
    acrylonitrile 2.44
    aniline 4.25
    1,3-propanediol 4.53
    bromobenzene 2.91
    dibromomethane 2.77
    1,1,2,2-tetrachloroethane 5.81
    2-methyl-cyclohexyl acetate 3.73
    tetrabutyl urea 2.91
    diisobutyl methanol 1.6
    2-phenylethanol 6.66
    styrene 1.69
    dioctyl adipate 3.31
    dimethyl sulfate 5.39
    ethyl butyrate 2.71
    methyl lactate 3.62
    butyl lactate 6.36
    diethyl carbonate 1.66
    propanediol butyl ether 9.62
    triethyl orthoformate 3.37
    p-tert-butyltoluene 1.69
    methyl 4-tert-butylbenzoate 9.61
    morpholine 15.69
    tert-butylamine 1.16
    n-dodecanol 0.72
    dimethoxymethane 17.0
    ethylene carbonate 3.49
    cyrene 9.21
    2-ethoxyethyl acetate 9.77
    2-ethylhexyl acetate 3.38
    1,2,4-trichlorobenzene 4.41
    4-methylpyridine 6.78
    dibutyl ether 1.34
    2,6-dimethyl-4-heptanol 1.6
    DEF 5.27
    dimethyl isosorbide 14.36
    tetrachloroethylene 4.94
    eugenol 10.66
    triacetin 6.13
    span 80 7.77
    1,4-butanediol 1.84
    1,1-dichloroethane 2.15
    2-methyl-1-pentanol 2.49
    methyl formate 2.97
    2-methyl-1-butanol 2.81
    n-decane 0.12
    butyronitrile 1.92
    3,7-dimethyl-1-octanol 2.12
    1-chlorooctane 0.73
    1-chlorotetradecane 0.15
    n-nonane 0.1
    undecane 0.06
    tert-butylcyclohexane 0.2
    cyclooctane 0.11
    cyclopentanol 2.82
    tetrahydropyran 6.45
    tert-amyl methyl ether 1.83
    2,5,8-trioxanonane 12.46
    1-hexene 0.67
    2-isopropoxyethanol 5.36
    2,2,2-trifluoroethanol 1.42
    methyl butyrate 2.75

    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