1,2-Heptanediol

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  • Identifiers

    CAS number
    3710-31-4

    Molecular formula
    C7H16O2

    SMILES
    CCCCCC(CO)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 59.67%
    Oily 58.73%
    Sweet 49.74%
    Green 49.35%
    Fresh 42.95%
    Musty 40.18%
    Fatty 39.64%
    Herbal 35.86%
    Alcoholic 34.02%
    Fermented 33.57%

     

    Flavor
    Sweet 46.54%
    Herbal 36.07%
    Green 33.43%
    Oily 33.39%
    Musty 30.3%
    Odorless 30.2%
    Mushroom 29.93%
    Fatty 28.72%
    Earthy 28.64%
    Mild 27.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.98 (neutral)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    236°C

    Flash point

    • 114.3 ˚C est.

  • Synonyms

    • 1,2-Heptanediol
    • 3710-31-4
    • AI3-13217
    • RefChem:412067
    • 855-780-2
    • heptane-1,2-diol
    • 1,2-Dihydroxyheptane
    • MFCD01861287
    • 1,2-heptane diol
    • SCHEMBL153368
    • SCHEMBL1875853
    • SCHEMBL2369749
    • SCHEMBL3675527
    • SCHEMBL7849858
    • SCHEMBL9321967
    • SCHEMBL11735326
    • GCXZDAKFJKCPGK-UHFFFAOYSA-
    • DTXSID50958269
    • AKOS027321028
    • SB84082
    • AS-56767
    • DA-19837
    • SY054904
    • CS-0205339
    • H0948
    • D90979
    • InChI=1/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3
    • 3710-31-4

  • Applications

    1,2-Heptanediol (CAS 3710-31-4) is commonly used as a solvent and processing aid across multiple industries, notably as a humectant and carrier solvent in cosmetics and personal care products, and as a co-solvent or viscosity modifier in coatings, inks, and cleaning formulations. It also serves as a diol building block in polymer manufacture, providing chain-extension capabilities for polyurethanes and polyesters to enhance flexibility and hydrolytic stability. In addition, it can function as a plasticizer or formulation additive in certain polymer systems and may be used as an intermediate in the synthesis of fragrances or other specialty chemicals. Its use is subject to local regulations and formulation-specific guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3484.44
    methanol 5551.94
    isopropanol 2154.29
    water 11.02
    ethyl acetate 511.7
    n-propanol 2535.79
    acetone 967.69
    n-butanol 2340.52
    acetonitrile 421.45
    DMF 1025.58
    toluene 57.47
    isobutanol 1513.05
    1,4-dioxane 1020.47
    methyl acetate 330.11
    THF 1949.51
    2-butanone 460.97
    n-pentanol 990.32
    sec-butanol 1183.57
    n-hexane 58.73
    ethylene glycol 974.71
    NMP 676.74
    cyclohexane 108.96
    DMSO 3076.28
    n-butyl acetate 677.67
    n-octanol 259.88
    chloroform 391.86
    n-propyl acetate 415.81
    acetic acid 1991.98
    dichloromethane 393.39
    cyclohexanone 1028.82
    propylene glycol 1031.3
    isopropyl acetate 290.94
    DMAc 318.23
    2-ethoxyethanol 1151.09
    isopentanol 1420.78
    n-heptane 90.97
    ethyl formate 621.89
    1,2-dichloroethane 336.29
    n-hexanol 1278.02
    2-methoxyethanol 2757.49
    isobutyl acetate 219.77
    tetrachloromethane 123.78
    n-pentyl acetate 250.18
    transcutol 1918.16
    n-heptanol 401.91
    ethylbenzene 44.46
    MIBK 306.89
    2-propoxyethanol 1411.95
    tert-butanol 2015.41
    MTBE 446.64
    2-butoxyethanol 672.3
    propionic acid 1183.44
    o-xylene 56.82
    formic acid 1034.34
    diethyl ether 374.32
    m-xylene 62.82
    p-xylene 64.05
    chlorobenzene 125.26
    dimethyl carbonate 84.61
    n-octane 21.01
    formamide 1039.72
    cyclopentanone 1096.14
    2-pentanone 546.37
    anisole 138.0
    cyclopentyl methyl ether 601.02
    gamma-butyrolactone 1169.33
    1-methoxy-2-propanol 1523.51
    pyridine 428.31
    3-pentanone 212.14
    furfural 834.26
    n-dodecane 12.14
    diethylene glycol 1125.72
    diisopropyl ether 121.34
    tert-amyl alcohol 996.57
    acetylacetone 447.91
    n-hexadecane 13.18
    acetophenone 159.26
    methyl propionate 309.45
    isopentyl acetate 498.02
    trichloroethylene 536.72
    n-nonanol 205.14
    cyclohexanol 1077.46
    benzyl alcohol 233.17
    2-ethylhexanol 556.5
    isooctanol 282.26
    dipropyl ether 466.7
    1,2-dichlorobenzene 129.84
    ethyl lactate 204.87
    propylene carbonate 558.4
    n-methylformamide 1176.95
    2-pentanol 950.79
    n-pentane 59.87
    1-propoxy-2-propanol 1046.6
    1-methoxy-2-propyl acetate 413.79
    2-(2-methoxypropoxy) propanol 329.83
    mesitylene 51.84
    ε-caprolactone 817.13
    p-cymene 75.82
    epichlorohydrin 900.42
    1,1,1-trichloroethane 237.37
    2-aminoethanol 1948.13
    morpholine-4-carbaldehyde 783.61
    sulfolane 1275.58
    2,2,4-trimethylpentane 33.94
    2-methyltetrahydrofuran 1131.76
    n-hexyl acetate 293.8
    isooctane 30.73
    2-(2-butoxyethoxy)ethanol 608.15
    sec-butyl acetate 198.42
    tert-butyl acetate 312.78
    decalin 33.8
    glycerin 1161.66
    diglyme 1028.38
    acrylic acid 774.55
    isopropyl myristate 95.68
    n-butyric acid 2103.8
    acetyl acetate 229.36
    di(2-ethylhexyl) phthalate 116.42
    ethyl propionate 236.81
    nitromethane 1407.27
    1,2-diethoxyethane 479.9
    benzonitrile 237.98
    trioctyl phosphate 111.65
    1-bromopropane 182.57
    gamma-valerolactone 1280.81
    n-decanol 141.03
    triethyl phosphate 127.06
    4-methyl-2-pentanol 402.7
    propionitrile 450.05
    vinylene carbonate 421.65
    1,1,2-trichlorotrifluoroethane 808.35
    DMS 138.53
    cumene 44.15
    2-octanol 186.21
    2-hexanone 380.07
    octyl acetate 129.36
    limonene 157.09
    1,2-dimethoxyethane 1146.1
    ethyl orthosilicate 139.78
    tributyl phosphate 127.41
    diacetone alcohol 577.32
    N,N-dimethylaniline 97.43
    acrylonitrile 501.15
    aniline 252.38
    1,3-propanediol 2453.2
    bromobenzene 95.18
    dibromomethane 266.07
    1,1,2,2-tetrachloroethane 490.29
    2-methyl-cyclohexyl acetate 249.39
    tetrabutyl urea 153.84
    diisobutyl methanol 256.68
    2-phenylethanol 290.71
    styrene 55.53
    dioctyl adipate 165.63
    dimethyl sulfate 162.6
    ethyl butyrate 400.32
    methyl lactate 271.31
    butyl lactate 282.07
    diethyl carbonate 194.49
    propanediol butyl ether 574.83
    triethyl orthoformate 266.26
    p-tert-butyltoluene 74.12
    methyl 4-tert-butylbenzoate 188.88
    morpholine 1595.39
    tert-butylamine 1037.58
    n-dodecanol 102.83
    dimethoxymethane 531.69
    ethylene carbonate 415.69
    cyrene 267.29
    2-ethoxyethyl acetate 277.66
    2-ethylhexyl acetate 325.64
    1,2,4-trichlorobenzene 146.11
    4-methylpyridine 313.72
    dibutyl ether 226.92
    2,6-dimethyl-4-heptanol 256.68
    DEF 557.58
    dimethyl isosorbide 458.25
    tetrachloroethylene 455.98
    eugenol 230.78
    triacetin 217.87
    span 80 400.77
    1,4-butanediol 735.06
    1,1-dichloroethane 241.56
    2-methyl-1-pentanol 575.12
    methyl formate 611.97
    2-methyl-1-butanol 1111.49
    n-decane 21.04
    butyronitrile 721.9
    3,7-dimethyl-1-octanol 250.16
    1-chlorooctane 84.57
    1-chlorotetradecane 29.01
    n-nonane 22.86
    undecane 15.02
    tert-butylcyclohexane 34.35
    cyclooctane 31.85
    cyclopentanol 1432.17
    tetrahydropyran 1102.47
    tert-amyl methyl ether 265.84
    2,5,8-trioxanonane 579.21
    1-hexene 174.0
    2-isopropoxyethanol 586.41
    2,2,2-trifluoroethanol 386.53
    methyl butyrate 483.22

    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