CID 146116247

Overview IFRA Request a quote

  • Identifiers

    CAS number
    139742-12-4

    Molecular formula
    C47H70O20

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@@H](C[C@]4(C([C@]3(C)C=O)CC[C@@]5(C4CC=C6[C@]5(CC[C@@]7([C@H]6CC(=C)CC7)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)O)C(=O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.01%
    Spicy 29.03%
    Woody 26.09%
    Cooling 22.51%
    Sweet 19.99%
    Mint 17.12%
    Milky 16.86%
    Dry 16.7%
    Warm 16.54%
    Balsamic 16.3%

     

    Flavor
    Bitter 73.34%
    Odorless 29.69%
    Fatty 26.7%
    Sweet-like 26.37%
    Bland 25.07%
    Cedarleaf 22.25%
    Alkaline 20.09%
    Ripe apricot 20.08%
    Naphthalic 20.02%
    Patchouli 19.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    1.69 (strong acid)

    Molecular weight
    955.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3021°C

    Flash point

    • 258.71 ˚C est.

  • Synonyms

    • 139742-12-4
    • (2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,6Ar,6bS,8aS,12aS,14bR)-4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
    • orb1990947
    • AKOS040735887
    • 139742-12-4

  • Applications

    CID 146116247 (CAS 139742-12-4) is an industrial chemical described as a solvent and as a reactive intermediate in organic synthesis. It can serve as a processing aid or building block for polymers and plastics, and as a solvent component in coatings and inks formulations. It is also found in cleaning formulations as a solvent or processing aid. Depending on the formulation and local regulations, its use is governed by applicable limits and safety requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.06
    methanol 34.94
    isopropanol 1.09
    water 0.15
    ethyl acetate 2.24
    n-propanol 1.79
    acetone 4.87
    n-butanol 0.78
    acetonitrile 1.78
    DMF 65.74
    toluene 0.49
    isobutanol 0.59
    1,4-dioxane 8.96
    methyl acetate 3.24
    THF 18.8
    2-butanone 2.85
    n-pentanol 0.52
    sec-butanol 0.62
    n-hexane 0.02
    ethylene glycol 8.9
    NMP 55.03
    cyclohexane 0.04
    DMSO 63.61
    n-butyl acetate 0.65
    n-octanol 0.45
    chloroform 3.13
    n-propyl acetate 0.85
    acetic acid 43.63
    dichloromethane 3.4
    cyclohexanone 3.36
    propylene glycol 7.25
    isopropyl acetate 1.12
    DMAc 42.51
    2-ethoxyethanol 8.85
    isopentanol 0.4
    n-heptane 0.03
    ethyl formate 2.79
    1,2-dichloroethane 1.66
    n-hexanol 0.41
    2-methoxyethanol 28.85
    isobutyl acetate 0.35
    tetrachloromethane 0.38
    n-pentyl acetate 1.1
    transcutol 12.14
    n-heptanol 0.6
    ethylbenzene 0.16
    MIBK 0.79
    2-propoxyethanol 7.97
    tert-butanol 0.64
    MTBE 0.47
    2-butoxyethanol 4.79
    propionic acid 4.32
    o-xylene 0.33
    formic acid 58.64
    diethyl ether 0.89
    m-xylene 0.3
    p-xylene 0.18
    chlorobenzene 0.49
    dimethyl carbonate 8.37
    n-octane 0.02
    formamide 40.43
    cyclopentanone 10.34
    2-pentanone 1.78
    anisole 1.01
    cyclopentyl methyl ether 2.26
    gamma-butyrolactone 18.47
    1-methoxy-2-propanol 13.83
    pyridine 5.25
    3-pentanone 1.56
    furfural 16.87
    n-dodecane 0.01
    diethylene glycol 14.74
    diisopropyl ether 0.15
    tert-amyl alcohol 0.48
    acetylacetone 6.92
    n-hexadecane 0.01
    acetophenone 1.54
    methyl propionate 4.15
    isopentyl acetate 0.46
    trichloroethylene 5.39
    n-nonanol 0.46
    cyclohexanol 0.56
    benzyl alcohol 1.51
    2-ethylhexanol 0.17
    isooctanol 0.33
    dipropyl ether 0.53
    1,2-dichlorobenzene 0.55
    ethyl lactate 2.13
    propylene carbonate 5.26
    n-methylformamide 28.18
    2-pentanol 0.35
    n-pentane 0.03
    1-propoxy-2-propanol 3.72
    1-methoxy-2-propyl acetate 3.22
    2-(2-methoxypropoxy) propanol 3.21
    mesitylene 0.15
    ε-caprolactone 3.97
    p-cymene 0.11
    epichlorohydrin 12.94
    1,1,1-trichloroethane 0.82
    2-aminoethanol 8.44
    morpholine-4-carbaldehyde 44.34
    sulfolane 40.43
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.62
    n-hexyl acetate 1.07
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.84
    sec-butyl acetate 0.43
    tert-butyl acetate 1.09
    decalin 0.02
    glycerin 25.92
    diglyme 11.18
    acrylic acid 10.52
    isopropyl myristate 0.23
    n-butyric acid 3.37
    acetyl acetate 3.0
    di(2-ethylhexyl) phthalate 0.56
    ethyl propionate 0.98
    nitromethane 52.21
    1,2-diethoxyethane 1.53
    benzonitrile 0.84
    trioctyl phosphate 0.38
    1-bromopropane 0.35
    gamma-valerolactone 30.52
    n-decanol 0.26
    triethyl phosphate 0.51
    4-methyl-2-pentanol 0.19
    propionitrile 0.95
    vinylene carbonate 6.31
    1,1,2-trichlorotrifluoroethane 27.77
    DMS 2.1
    cumene 0.09
    2-octanol 0.27
    2-hexanone 0.77
    octyl acetate 0.49
    limonene 0.15
    1,2-dimethoxyethane 9.0
    ethyl orthosilicate 0.43
    tributyl phosphate 0.32
    diacetone alcohol 3.37
    N,N-dimethylaniline 0.86
    acrylonitrile 2.9
    aniline 1.22
    1,3-propanediol 6.51
    bromobenzene 0.39
    dibromomethane 1.16
    1,1,2,2-tetrachloroethane 3.82
    2-methyl-cyclohexyl acetate 0.52
    tetrabutyl urea 0.65
    diisobutyl methanol 0.11
    2-phenylethanol 1.11
    styrene 0.21
    dioctyl adipate 0.62
    dimethyl sulfate 20.34
    ethyl butyrate 0.67
    methyl lactate 11.03
    butyl lactate 1.75
    diethyl carbonate 0.49
    propanediol butyl ether 5.43
    triethyl orthoformate 0.75
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 2.35
    morpholine 10.82
    tert-butylamine 0.16
    n-dodecanol 0.14
    dimethoxymethane 26.43
    ethylene carbonate 3.53
    cyrene 8.74
    2-ethoxyethyl acetate 3.38
    2-ethylhexyl acetate 0.34
    1,2,4-trichlorobenzene 0.99
    4-methylpyridine 2.4
    dibutyl ether 0.24
    2,6-dimethyl-4-heptanol 0.11
    DEF 4.52
    dimethyl isosorbide 6.28
    tetrachloroethylene 2.87
    eugenol 2.64
    triacetin 3.15
    span 80 3.38
    1,4-butanediol 2.24
    1,1-dichloroethane 0.86
    2-methyl-1-pentanol 0.28
    methyl formate 24.41
    2-methyl-1-butanol 0.42
    n-decane 0.02
    butyronitrile 0.54
    3,7-dimethyl-1-octanol 0.22
    1-chlorooctane 0.12
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.36
    tetrahydropyran 1.98
    tert-amyl methyl ether 0.48
    2,5,8-trioxanonane 6.69
    1-hexene 0.07
    2-isopropoxyethanol 2.94
    2,2,2-trifluoroethanol 13.97
    methyl butyrate 1.23

    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