1,3-Octanediol

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  • Identifiers

    CAS number
    23433-05-8

    Molecular formula
    C8H18O2

    SMILES
    CCCCCC(CCO)O

  • Odor profile

    Fragrance
    Oily 64.57%
    Sweet 51.03%
    Green 49.94%
    Fruity 46.59%
    Musty 43.99%
    Earthy 43.44%
    Mushroom 42.07%
    Herbal 39.94%
    Fatty 39.8%
    Fresh 38.97%

     

    Flavor
    Green 54.65%
    Herbal 42.94%
    Mushroom 42.15%
    Earthy 39.11%
    Bitter 38.96%
    Oily 38.02%
    Sweet 37.21%
    Woody 36.07%
    Fresh 33.54%
    Fatty 33.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.2 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    258°C

    Flash point

    • 120.09 ˚C est.

  • Synonyms

    • 1,3-Octanediol
    • octane-1,3-diol
    • 23433-05-8
    • (R)-1,3-Octanediol
    • BRN 2069738
    • Propane-1,3-diol, 1-pentyl-
    • DTXSID00865095
    • 1,3-octane diol
    • 1,a3-aOctanediol
    • MFCD01711163
    • SCHEMBL304078
    • DTXCID50813546
    • CHEBI:179848
    • YAA43305
    • 1,3-Octanediol, analytical standard
    • LMFA05000564
    • AKOS006277652
    • SB84258
    • AS-76662
    • NS00120941
    • A10789
    • EN300-118308
    • Z1198158015
    • 607-232-7

  • Applications

    1,3-Octanediol (CAS 23433-05-8) is used as a diol building block and processing aid in polymer chemistry, notably for polyester polyols and polyurethane systems. It also serves as a solvent or reactive diluent in coatings and inks, and as a solvent and humectant in cosmetics and fragrance formulations. In addition, it may be used as a cleaning solvent in household products and as an intermediate or additive in industrial manufacturing, including formulations for adhesives and sealants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8630.71
    methanol 10416.76
    isopropanol 7456.35
    water 4.39
    ethyl acetate 1477.69
    n-propanol 6571.19
    acetone 3923.84
    n-butanol 5735.1
    acetonitrile 1441.4
    DMF 2836.13
    toluene 172.5
    isobutanol 4300.62
    1,4-dioxane 3105.8
    methyl acetate 1024.01
    THF 5885.26
    2-butanone 1555.86
    n-pentanol 2732.82
    sec-butanol 3748.85
    n-hexane 285.66
    ethylene glycol 1480.53
    NMP 1333.72
    cyclohexane 408.97
    DMSO 5667.83
    n-butyl acetate 1438.79
    n-octanol 625.01
    chloroform 1284.98
    n-propyl acetate 1079.45
    acetic acid 3444.09
    dichloromethane 1038.17
    cyclohexanone 2546.44
    propylene glycol 2255.44
    isopropyl acetate 876.31
    DMAc 856.66
    2-ethoxyethanol 2266.25
    isopentanol 3439.13
    n-heptane 281.64
    ethyl formate 1193.06
    1,2-dichloroethane 921.8
    n-hexanol 2997.07
    2-methoxyethanol 5313.37
    isobutyl acetate 598.77
    tetrachloromethane 314.84
    n-pentyl acetate 540.7
    transcutol 3414.32
    n-heptanol 853.88
    ethylbenzene 104.49
    MIBK 869.77
    2-propoxyethanol 2858.79
    tert-butanol 6246.87
    MTBE 1861.57
    2-butoxyethanol 1214.02
    propionic acid 2428.21
    o-xylene 127.04
    formic acid 1165.36
    diethyl ether 1738.91
    m-xylene 163.06
    p-xylene 154.35
    chlorobenzene 301.41
    dimethyl carbonate 199.27
    n-octane 59.56
    formamide 1192.58
    cyclopentanone 2675.91
    2-pentanone 1756.36
    anisole 312.2
    cyclopentyl methyl ether 1827.05
    gamma-butyrolactone 2462.81
    1-methoxy-2-propanol 3450.38
    pyridine 1138.25
    3-pentanone 703.02
    furfural 1346.11
    n-dodecane 33.12
    diethylene glycol 1860.36
    diisopropyl ether 451.67
    tert-amyl alcohol 2725.67
    acetylacetone 1092.13
    n-hexadecane 36.71
    acetophenone 284.79
    methyl propionate 866.72
    isopentyl acetate 999.93
    trichloroethylene 1353.05
    n-nonanol 486.64
    cyclohexanol 2708.83
    benzyl alcohol 431.17
    2-ethylhexanol 1199.99
    isooctanol 583.92
    dipropyl ether 1411.32
    1,2-dichlorobenzene 250.63
    ethyl lactate 395.89
    propylene carbonate 1054.58
    n-methylformamide 2176.21
    2-pentanol 2825.75
    n-pentane 275.04
    1-propoxy-2-propanol 2137.7
    1-methoxy-2-propyl acetate 836.07
    2-(2-methoxypropoxy) propanol 534.26
    mesitylene 122.27
    ε-caprolactone 1682.73
    p-cymene 139.22
    epichlorohydrin 2115.27
    1,1,1-trichloroethane 743.71
    2-aminoethanol 3464.38
    morpholine-4-carbaldehyde 1560.23
    sulfolane 2305.41
    2,2,4-trimethylpentane 98.21
    2-methyltetrahydrofuran 3340.95
    n-hexyl acetate 671.33
    isooctane 97.92
    2-(2-butoxyethoxy)ethanol 1056.17
    sec-butyl acetate 513.95
    tert-butyl acetate 847.79
    decalin 96.9
    glycerin 2004.89
    diglyme 1826.95
    acrylic acid 1381.82
    isopropyl myristate 209.84
    n-butyric acid 4285.14
    acetyl acetate 523.99
    di(2-ethylhexyl) phthalate 195.99
    ethyl propionate 607.93
    nitromethane 2598.17
    1,2-diethoxyethane 1106.93
    benzonitrile 487.78
    trioctyl phosphate 191.38
    1-bromopropane 674.15
    gamma-valerolactone 2713.72
    n-decanol 321.26
    triethyl phosphate 210.33
    4-methyl-2-pentanol 1051.09
    propionitrile 1518.7
    vinylene carbonate 745.76
    1,1,2-trichlorotrifluoroethane 1444.07
    DMS 289.39
    cumene 93.66
    2-octanol 456.19
    2-hexanone 1160.36
    octyl acetate 278.08
    limonene 343.71
    1,2-dimethoxyethane 2880.87
    ethyl orthosilicate 239.61
    tributyl phosphate 230.17
    diacetone alcohol 1231.68
    N,N-dimethylaniline 192.99
    acrylonitrile 1255.3
    aniline 592.95
    1,3-propanediol 4477.64
    bromobenzene 232.93
    dibromomethane 773.57
    1,1,2,2-tetrachloroethane 1222.65
    2-methyl-cyclohexyl acetate 440.87
    tetrabutyl urea 275.41
    diisobutyl methanol 508.73
    2-phenylethanol 508.91
    styrene 138.83
    dioctyl adipate 317.82
    dimethyl sulfate 316.12
    ethyl butyrate 838.67
    methyl lactate 540.8
    butyl lactate 503.97
    diethyl carbonate 347.58
    propanediol butyl ether 1049.44
    triethyl orthoformate 507.84
    p-tert-butyltoluene 139.26
    methyl 4-tert-butylbenzoate 313.39
    morpholine 4364.81
    tert-butylamine 3622.58
    n-dodecanol 227.2
    dimethoxymethane 1534.51
    ethylene carbonate 829.64
    cyrene 415.01
    2-ethoxyethyl acetate 541.47
    2-ethylhexyl acetate 656.44
    1,2,4-trichlorobenzene 288.57
    4-methylpyridine 857.24
    dibutyl ether 667.43
    2,6-dimethyl-4-heptanol 508.73
    DEF 1388.41
    dimethyl isosorbide 754.57
    tetrachloroethylene 999.09
    eugenol 347.61
    triacetin 422.55
    span 80 684.25
    1,4-butanediol 1318.13
    1,1-dichloroethane 954.46
    2-methyl-1-pentanol 1386.47
    methyl formate 1036.98
    2-methyl-1-butanol 2685.52
    n-decane 66.27
    butyronitrile 2227.15
    3,7-dimethyl-1-octanol 534.63
    1-chlorooctane 242.82
    1-chlorotetradecane 75.41
    n-nonane 72.03
    undecane 43.84
    tert-butylcyclohexane 99.05
    cyclooctane 97.28
    cyclopentanol 3704.11
    tetrahydropyran 3941.37
    tert-amyl methyl ether 924.2
    2,5,8-trioxanonane 960.58
    1-hexene 819.58
    2-isopropoxyethanol 1247.64
    2,2,2-trifluoroethanol 615.71
    methyl butyrate 1109.54

    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