(3R,7R)-1,3,7-Octanetriol

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  • Identifiers

    CAS number
    217650-11-8

    Molecular formula
    C8H18O3

    SMILES
    C[C@H](CCC[C@H](CCO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 43.51%
    Fruity 37.64%
    Sweet 37.46%
    Oily 31.63%
    Alcoholic 30.08%
    Buttery 24.95%
    Fresh 23.62%
    Creamy 21.91%
    Milky 21.04%
    Fishy 20.93%

     

    Flavor
    Bitter 47.13%
    Odorless 42.66%
    Sweet 35.42%
    Fruity 31.65%
    Oily 28.99%
    Alcoholic 28.65%
    Green 28.16%
    Mild 28.05%
    Musty 25.52%
    Very slight 24.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    7.81 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 154.69 ˚C est.

  • Synonyms

    • (3R,7R)-1,3,7-Octanetriol
    • DTXSID101312661
    • 217650-11-8
    • RefChem:1050284
    • DTXCID501742448
    • (3R,7R)-octane-1,3,7-triol
    • SCHEMBL20523746
    • CHEBI:192385
    • 217650-11-8

  • Applications

    (3R,7R)-1,3,7-Octanetriol, CAS 217650-11-8, is a multifunctional aliphatic triol primarily used as a building block in polymer chemistry; in industrial manufacturing it is employed as a polyol precursor for polyurethane and polyester resins, providing functionality for network formation; it also serves as a crosslinking agent or reactive intermediate in coating formulations, inks, and adhesives; it can be used to prepare specialty esters and surfactants, expanding options for functional additives; and it is sometimes evaluated as a reactive component in epoxy resin systems or other thermoset formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1113.11
    methanol 2534.38
    isopropanol 611.91
    water 143.79
    ethyl acetate 112.95
    n-propanol 695.44
    acetone 263.69
    n-butanol 527.27
    acetonitrile 95.33
    DMF 955.62
    toluene 9.46
    isobutanol 419.38
    1,4-dioxane 448.46
    methyl acetate 87.06
    THF 893.76
    2-butanone 101.18
    n-pentanol 256.45
    sec-butanol 320.24
    n-hexane 9.41
    ethylene glycol 1095.39
    NMP 576.14
    cyclohexane 17.28
    DMSO 1407.15
    n-butyl acetate 93.8
    n-octanol 106.73
    chloroform 33.72
    n-propyl acetate 91.09
    acetic acid 1394.54
    dichloromethane 28.38
    cyclohexanone 303.34
    propylene glycol 1076.78
    isopropyl acetate 87.74
    DMAc 418.53
    2-ethoxyethanol 663.34
    isopentanol 329.13
    n-heptane 13.58
    ethyl formate 141.66
    1,2-dichloroethane 31.0
    n-hexanol 278.56
    2-methoxyethanol 1481.97
    isobutyl acetate 64.32
    tetrachloromethane 15.17
    n-pentyl acetate 60.33
    transcutol 979.85
    n-heptanol 129.87
    ethylbenzene 8.28
    MIBK 100.01
    2-propoxyethanol 547.91
    tert-butanol 713.52
    MTBE 114.15
    2-butoxyethanol 288.2
    propionic acid 587.64
    o-xylene 15.36
    formic acid 1278.14
    diethyl ether 73.12
    m-xylene 17.0
    p-xylene 12.57
    chlorobenzene 15.52
    dimethyl carbonate 56.17
    n-octane 4.67
    formamide 882.58
    cyclopentanone 420.88
    2-pentanone 124.19
    anisole 42.47
    cyclopentyl methyl ether 222.8
    gamma-butyrolactone 533.86
    1-methoxy-2-propanol 884.31
    pyridine 80.35
    3-pentanone 60.04
    furfural 342.88
    n-dodecane 3.7
    diethylene glycol 726.84
    diisopropyl ether 31.24
    tert-amyl alcohol 352.41
    acetylacetone 172.94
    n-hexadecane 3.98
    acetophenone 54.44
    methyl propionate 106.09
    isopentyl acetate 81.16
    trichloroethylene 53.86
    n-nonanol 84.81
    cyclohexanol 350.73
    benzyl alcohol 84.97
    2-ethylhexanol 104.68
    isooctanol 93.76
    dipropyl ether 88.28
    1,2-dichlorobenzene 19.38
    ethyl lactate 115.81
    propylene carbonate 227.13
    n-methylformamide 658.72
    2-pentanol 221.57
    n-pentane 8.97
    1-propoxy-2-propanol 352.8
    1-methoxy-2-propyl acetate 139.53
    2-(2-methoxypropoxy) propanol 212.74
    mesitylene 18.18
    ε-caprolactone 270.03
    p-cymene 16.72
    epichlorohydrin 281.82
    1,1,1-trichloroethane 23.36
    2-aminoethanol 1481.3
    morpholine-4-carbaldehyde 640.27
    sulfolane 632.77
    2,2,4-trimethylpentane 7.01
    2-methyltetrahydrofuran 327.52
    n-hexyl acetate 97.6
    isooctane 7.6
    2-(2-butoxyethoxy)ethanol 343.01
    sec-butyl acetate 54.83
    tert-butyl acetate 116.18
    decalin 7.46
    glycerin 1540.38
    diglyme 506.31
    acrylic acid 490.72
    isopropyl myristate 35.63
    n-butyric acid 649.99
    acetyl acetate 82.85
    di(2-ethylhexyl) phthalate 54.65
    ethyl propionate 68.58
    nitromethane 760.52
    1,2-diethoxyethane 113.79
    benzonitrile 52.32
    trioctyl phosphate 48.28
    1-bromopropane 14.79
    gamma-valerolactone 620.61
    n-decanol 58.31
    triethyl phosphate 45.48
    4-methyl-2-pentanol 119.15
    propionitrile 84.44
    vinylene carbonate 161.3
    1,1,2-trichlorotrifluoroethane 428.64
    DMS 64.14
    cumene 11.66
    2-octanol 64.36
    2-hexanone 84.96
    octyl acetate 51.44
    limonene 31.11
    1,2-dimethoxyethane 538.68
    ethyl orthosilicate 46.13
    tributyl phosphate 51.92
    diacetone alcohol 288.67
    N,N-dimethylaniline 41.51
    acrylonitrile 111.34
    aniline 59.58
    1,3-propanediol 1400.22
    bromobenzene 9.64
    dibromomethane 17.99
    1,1,2,2-tetrachloroethane 60.15
    2-methyl-cyclohexyl acetate 72.98
    tetrabutyl urea 70.72
    diisobutyl methanol 56.86
    2-phenylethanol 81.74
    styrene 8.53
    dioctyl adipate 67.53
    dimethyl sulfate 116.83
    ethyl butyrate 72.91
    methyl lactate 206.96
    butyl lactate 108.55
    diethyl carbonate 44.41
    propanediol butyl ether 354.1
    triethyl orthoformate 70.2
    p-tert-butyltoluene 18.77
    methyl 4-tert-butylbenzoate 100.58
    morpholine 723.96
    tert-butylamine 255.63
    n-dodecanol 41.75
    dimethoxymethane 327.38
    ethylene carbonate 158.14
    cyrene 207.53
    2-ethoxyethyl acetate 83.34
    2-ethylhexyl acetate 54.8
    1,2,4-trichlorobenzene 28.13
    4-methylpyridine 60.92
    dibutyl ether 51.49
    2,6-dimethyl-4-heptanol 56.86
    DEF 221.22
    dimethyl isosorbide 266.57
    tetrachloroethylene 59.18
    eugenol 123.44
    triacetin 119.23
    span 80 237.41
    1,4-butanediol 510.77
    1,1-dichloroethane 18.72
    2-methyl-1-pentanol 157.85
    methyl formate 319.57
    2-methyl-1-butanol 285.04
    n-decane 6.41
    butyronitrile 111.41
    3,7-dimethyl-1-octanol 83.78
    1-chlorooctane 21.12
    1-chlorotetradecane 9.12
    n-nonane 6.09
    undecane 4.56
    tert-butylcyclohexane 7.82
    cyclooctane 6.75
    cyclopentanol 552.47
    tetrahydropyran 274.27
    tert-amyl methyl ether 84.63
    2,5,8-trioxanonane 357.87
    1-hexene 21.18
    2-isopropoxyethanol 330.13
    2,2,2-trifluoroethanol 384.11
    methyl butyrate 117.21

    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