Heliantriol B2

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  • Identifiers

    CAS number
    61229-18-3

    Molecular formula
    C30H50O3

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.58%
    Sweet 55.64%
    Sandalwood 53.2%
    Amber 51.05%
    Balsamic 49.4%
    Cedar 45.32%
    Dry 44.37%
    Camphoreous 39.8%
    Spicy 37.37%
    Earthy 37.07%

     

    Flavor
    Woody 67.53%
    Herbal 49.34%
    Sweet 48.38%
    Balsam 47.81%
    Pine 47.13%
    Camphor 43.77%
    Earthy 40.65%
    Spicy 36.06%
    Herb 32.74%
    Fresh 32.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.7

    pKa est.
    7.11 (neutral)

    Molecular weight
    458.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    96°C

    Flash point

    • 249.44 ˚C est.

  • Synonyms

    • Heliantriol B2
    • NSC 294921
    • RefChem:145466
    • 61229-18-3
    • CHEMBL3391800
    • 61229-18-3

  • Applications

    Heliantriol B2 (CAS 61229-18-3) is a polyol intermediate used in the synthesis of polyurethane and other polymers; it may serve as a crosslinking agent or plasticizer in coatings, plastics, and adhesives. In cosmetics and personal care, it can function as a humectant and emollient. In cleaning and household formulations, it may act as a solvent or co-solvent in specialty formulas. It is also used as a building block for further industrial chemical syntheses and as a functional additive for surface treatments and plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.01
    methanol 5.19
    isopropanol 4.23
    water 0.05
    ethyl acetate 4.14
    n-propanol 6.76
    acetone 5.32
    n-butanol 6.3
    acetonitrile 2.19
    DMF 26.1
    toluene 4.26
    isobutanol 4.06
    1,4-dioxane 15.15
    methyl acetate 3.13
    THF 43.99
    2-butanone 5.13
    n-pentanol 3.68
    sec-butanol 1.93
    n-hexane 0.12
    ethylene glycol 1.23
    NMP 21.01
    cyclohexane 0.12
    DMSO 12.01
    n-butyl acetate 4.4
    n-octanol 2.9
    chloroform 12.39
    n-propyl acetate 3.06
    acetic acid 5.98
    dichloromethane 6.08
    cyclohexanone 9.17
    propylene glycol 2.44
    isopropyl acetate 4.62
    DMAc 18.54
    2-ethoxyethanol 10.38
    isopentanol 4.58
    n-heptane 0.17
    ethyl formate 2.19
    1,2-dichloroethane 3.49
    n-hexanol 4.28
    2-methoxyethanol 17.45
    isobutyl acetate 3.29
    tetrachloromethane 1.82
    n-pentyl acetate 7.54
    transcutol 27.8
    n-heptanol 5.63
    ethylbenzene 1.74
    MIBK 5.45
    2-propoxyethanol 26.61
    tert-butanol 3.31
    MTBE 2.41
    2-butoxyethanol 20.8
    propionic acid 3.68
    o-xylene 2.05
    formic acid 2.94
    diethyl ether 3.31
    m-xylene 3.54
    p-xylene 1.92
    chlorobenzene 4.62
    dimethyl carbonate 5.36
    n-octane 0.07
    formamide 4.04
    cyclopentanone 16.82
    2-pentanone 5.75
    anisole 6.72
    cyclopentyl methyl ether 8.41
    gamma-butyrolactone 15.12
    1-methoxy-2-propanol 21.54
    pyridine 13.76
    3-pentanone 3.77
    furfural 14.61
    n-dodecane 0.03
    diethylene glycol 14.31
    diisopropyl ether 1.1
    tert-amyl alcohol 1.84
    acetylacetone 9.6
    n-hexadecane 0.03
    acetophenone 7.03
    methyl propionate 5.48
    isopentyl acetate 5.84
    trichloroethylene 11.75
    n-nonanol 3.34
    cyclohexanol 2.62
    benzyl alcohol 7.11
    2-ethylhexanol 2.48
    isooctanol 4.64
    dipropyl ether 3.41
    1,2-dichlorobenzene 4.59
    ethyl lactate 3.91
    propylene carbonate 6.94
    n-methylformamide 7.08
    2-pentanol 2.32
    n-pentane 0.13
    1-propoxy-2-propanol 18.16
    1-methoxy-2-propyl acetate 14.55
    2-(2-methoxypropoxy) propanol 12.11
    mesitylene 1.8
    ε-caprolactone 9.12
    p-cymene 1.71
    epichlorohydrin 17.13
    1,1,1-trichloroethane 3.42
    2-aminoethanol 4.35
    morpholine-4-carbaldehyde 27.94
    sulfolane 20.78
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 7.9
    n-hexyl acetate 7.06
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 17.92
    sec-butyl acetate 2.55
    tert-butyl acetate 6.57
    decalin 0.15
    glycerin 5.55
    diglyme 29.87
    acrylic acid 4.25
    isopropyl myristate 1.81
    n-butyric acid 6.75
    acetyl acetate 4.35
    di(2-ethylhexyl) phthalate 4.83
    ethyl propionate 3.29
    nitromethane 8.71
    1,2-diethoxyethane 5.9
    benzonitrile 4.71
    trioctyl phosphate 2.92
    1-bromopropane 1.56
    gamma-valerolactone 31.71
    n-decanol 1.53
    triethyl phosphate 3.03
    4-methyl-2-pentanol 2.39
    propionitrile 2.75
    vinylene carbonate 7.99
    1,1,2-trichlorotrifluoroethane 16.09
    DMS 6.1
    cumene 1.3
    2-octanol 2.3
    2-hexanone 3.64
    octyl acetate 2.78
    limonene 1.69
    1,2-dimethoxyethane 14.23
    ethyl orthosilicate 3.3
    tributyl phosphate 2.29
    diacetone alcohol 9.97
    N,N-dimethylaniline 5.16
    acrylonitrile 4.16
    aniline 6.27
    1,3-propanediol 8.26
    bromobenzene 4.34
    dibromomethane 3.44
    1,1,2,2-tetrachloroethane 8.7
    2-methyl-cyclohexyl acetate 4.95
    tetrabutyl urea 3.56
    diisobutyl methanol 1.89
    2-phenylethanol 9.41
    styrene 1.93
    dioctyl adipate 4.26
    dimethyl sulfate 9.81
    ethyl butyrate 3.89
    methyl lactate 7.02
    butyl lactate 9.18
    diethyl carbonate 2.54
    propanediol butyl ether 14.63
    triethyl orthoformate 4.82
    p-tert-butyltoluene 1.9
    methyl 4-tert-butylbenzoate 13.81
    morpholine 18.97
    tert-butylamine 1.36
    n-dodecanol 0.68
    dimethoxymethane 24.33
    ethylene carbonate 6.1
    cyrene 15.09
    2-ethoxyethyl acetate 12.81
    2-ethylhexyl acetate 4.14
    1,2,4-trichlorobenzene 6.77
    4-methylpyridine 9.78
    dibutyl ether 1.41
    2,6-dimethyl-4-heptanol 1.89
    DEF 6.63
    dimethyl isosorbide 22.26
    tetrachloroethylene 6.47
    eugenol 15.47
    triacetin 9.28
    span 80 11.1
    1,4-butanediol 2.92
    1,1-dichloroethane 2.74
    2-methyl-1-pentanol 2.83
    methyl formate 4.41
    2-methyl-1-butanol 3.39
    n-decane 0.09
    butyronitrile 3.02
    3,7-dimethyl-1-octanol 2.5
    1-chlorooctane 0.66
    1-chlorotetradecane 0.13
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.17
    cyclooctane 0.09
    cyclopentanol 3.79
    tetrahydropyran 7.11
    tert-amyl methyl ether 1.86
    2,5,8-trioxanonane 17.2
    1-hexene 0.56
    2-isopropoxyethanol 7.24
    2,2,2-trifluoroethanol 3.35
    methyl butyrate 3.8

    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