Ethohexadiol

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  • Identifiers

    CAS number
    94-96-2

    Molecular formula
    C8H18O2

    SMILES
    CCCC(C(CC)CO)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Alcoholic 46.19%
    Odorless 42.04%
    Oily 39.48%
    Fruity 37.99%
    Fermented 35.38%
    Sweet 33.55%
    Solvent 26.33%
    Mint 26.29%
    Ethereal 25.71%
    Pungent 24.31%

     

    Flavor
    Fruity 47.9%
    Sweet 42.73%
    Green 38.14%
    Herbal 32.46%
    Oily 31.56%
    Mild 27.11%
    Tropical 26.47%
    Herb 25.76%
    Odorless 25.07%
    Mushroom 24.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.46 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -40 °C

    Boiling point

    • 244.2 °C @ 760 MM HG

    Flash point

    • 115.9 ˚C est.
    • 127 °C
    • 260 °F (127 °C) (OPEN CUP)

    Solubility expt.

    • SOL IN WATER 0.6% WT/WT; SOLUBILITY OF WATER IN ETHOHEXADIOL 10.8% WT/WT; SOL IN ETHANOL, ISOPROPANOL, PROPYLENE GLYCOL, CASTOR OIL
    • MISCIBLE WITH CHLOROFORM, DIETHYL ETHER

  • Synonyms

    • 2-ETHYL-1,3-HEXANEDIOL
    • 94-96-2
    • Ethohexadiol
    • 2-Ethylhexane-1,3-diol
    • Ethyl hexanediol
    • 1,3-Hexanediol, 2-ethyl-
    • Octylene glycol
    • etohexadiol
    • Repellent 612
    • Carbide 6-12
    • Ethylhexylene glycol
    • 2-Ethyl-1,3-hexandiol
    • Rutgers 612
    • 6-12 insect repellent
    • 6-12-Insect repellent
    • Diol-Kyowa 8
    • Ethohexadiol [USP]
    • Caswell No. 445
    • 2-Ethyl-3-propyl-1,3-propanediol
    • 2-Ethyl-1,3-hexylene glycol
    • 2-ethylhexanediol
    • 3-Hydroxymethyl-n-heptan-4-ol
    • ENT 375
    • CCRIS 4034
    • Compound 6-12 insect repellent
    • HSDB 1716
    • UNII-M9JGK7U88V
    • EH diol
    • NSC 3881
    • NSC-3881
    • EINECS 202-377-9
    • BRN 1735324
    • Ethyl hexylene glycol
    • DTXSID4025292
    • AI3-00375
    • Compound 6-12, insect repellent
    • 2-Ethylhexanediol-1,3
    • ETHOHEXADIOL [MI]
    • MFCD00004578
    • ETHOHEXADIOL [HSDB]
    • Ethyl-1,3-hexane diol-2
    • M9JGK7U88V
    • ETHOHEXADIOL [MART.]
    • ETHOHEXADIOL [WHO-DD]
    • DTXCID405292
    • CHEBI:34273
    • NSC3881
    • EC 202-377-9
    • 4-01-00-02597 (Beilstein Handbook Reference)
    • Ethohexadiol (USP)
    • NCGC00091575-01
    • Diol-Kyowa 8; Ethohexadiol; NSC 3881
    • ETHOHEXADIOL (MART.)
    • (2RS,3RS;2RS,3SR)-2-ETHYLHEXANE-1,3-DIOL
    • Latka 612 [Czech]
    • CAS-94-96-2
    • Latka 612
    • EPA Pesticide Chemical Code 041001
    • DiolKyowa 8
    • Carbide 612
    • 2Ethyl1,3hexanediol
    • 612Insect repellent
    • 612 insect repellent
    • 3Hydroxymethylnheptan4ol
    • 2Ethyl1,3hexylene glycol
    • REPELLANT 612
    • 2-ethyl-1,3-hexane diol
    • 2-ethyl-hexane-1,3-diol
    • 2Ethyl3propyl1,3propanediol
    • RUTGERS 6-12
    • SCHEMBL38007
    • Compound 612 insect repellent
    • LATKA 612 (Czechoslovakia)
    • WLN: QY3&Y2&1Q
    • ETHYL HEXANEDIOL [INCI]
    • CHEMBL1451179
    • Tox21_111152
    • Tox21_202003
    • Tox21_303253
    • AKOS002313502
    • AKOS016051411
    • Tox21_111152_1
    • DB13826
    • COMPOUND 6-12 INSECT REPELLANT
    • NCGC00091575-02
    • NCGC00091575-03
    • NCGC00256943-01
    • NCGC00259552-01
    • AS-80897
    • 2-Ethyl-1,3-hexanediol, analytical standard
    • E0119
    • NS00005681
    • SBI-0654054.0001
    • Q992192
    • SR-01000944444
    • SR-01000944444-1
    • BRD-A55455283-001-01-3

  • Applications

    Ethohexadiol is used as a diol building block in polymer synthesis, typically serving as a chain extender or polyol component in polyurethane systems and certain polyester resins. It is commonly employed as an intermediate in the production of specialty polymers and coatings. In coatings and inks, it may function as a solvent or co-solvent and as a reactive component to tune film-forming properties. In adhesives and sealants, it is used as a crosslinking agent or plasticizer to adjust flexibility and cure behavior. It is also used as a processing aid in industrial manufacturing to improve solubility and reduce viscosity, and may be used as a solvent or humectant in specialty cleaning formulations or cosmetic formulations, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2489.79
    methanol 2878.17
    isopropanol 2078.52
    water 6.02
    ethyl acetate 356.55
    n-propanol 1829.17
    acetone 641.34
    n-butanol 1370.69
    acetonitrile 591.3
    DMF 748.1
    toluene 55.21
    isobutanol 1159.67
    1,4-dioxane 1509.43
    methyl acetate 343.85
    THF 2014.05
    2-butanone 394.41
    n-pentanol 760.78
    sec-butanol 1091.42
    n-hexane 57.98
    ethylene glycol 483.12
    NMP 658.31
    cyclohexane 125.24
    DMSO 1647.49
    n-butyl acetate 463.97
    n-octanol 300.24
    chloroform 972.85
    n-propyl acetate 297.53
    acetic acid 1175.37
    dichloromethane 860.01
    cyclohexanone 939.94
    propylene glycol 684.16
    isopropyl acetate 211.75
    DMAc 292.69
    2-ethoxyethanol 696.02
    isopentanol 860.8
    n-heptane 85.17
    ethyl formate 440.6
    1,2-dichloroethane 472.28
    n-hexanol 949.6
    2-methoxyethanol 1516.37
    isobutyl acetate 186.35
    tetrachloromethane 199.48
    n-pentyl acetate 226.88
    transcutol 1061.26
    n-heptanol 364.39
    ethylbenzene 46.29
    MIBK 215.51
    2-propoxyethanol 889.23
    tert-butanol 1664.63
    MTBE 521.47
    2-butoxyethanol 489.73
    propionic acid 818.92
    o-xylene 55.49
    formic acid 446.65
    diethyl ether 445.9
    m-xylene 53.88
    p-xylene 68.43
    chlorobenzene 177.5
    dimethyl carbonate 64.41
    n-octane 26.42
    formamide 420.32
    cyclopentanone 1003.09
    2-pentanone 362.63
    anisole 136.51
    cyclopentyl methyl ether 506.28
    gamma-butyrolactone 1162.18
    1-methoxy-2-propanol 918.44
    pyridine 477.47
    3-pentanone 178.82
    furfural 709.67
    n-dodecane 18.78
    diethylene glycol 692.15
    diisopropyl ether 117.44
    tert-amyl alcohol 824.01
    acetylacetone 279.52
    n-hexadecane 20.86
    acetophenone 137.82
    methyl propionate 220.53
    isopentyl acetate 368.85
    trichloroethylene 709.25
    n-nonanol 234.78
    cyclohexanol 874.43
    benzyl alcohol 202.5
    2-ethylhexanol 446.08
    isooctanol 279.93
    dipropyl ether 358.72
    1,2-dichlorobenzene 170.83
    ethyl lactate 146.66
    propylene carbonate 548.07
    n-methylformamide 629.61
    2-pentanol 652.84
    n-pentane 66.16
    1-propoxy-2-propanol 679.17
    1-methoxy-2-propyl acetate 277.81
    2-(2-methoxypropoxy) propanol 253.97
    mesitylene 47.8
    ε-caprolactone 692.59
    p-cymene 75.28
    epichlorohydrin 968.19
    1,1,1-trichloroethane 370.78
    2-aminoethanol 988.36
    morpholine-4-carbaldehyde 665.62
    sulfolane 1205.32
    2,2,4-trimethylpentane 37.33
    2-methyltetrahydrofuran 1220.07
    n-hexyl acetate 302.32
    isooctane 36.07
    2-(2-butoxyethoxy)ethanol 432.55
    sec-butyl acetate 150.45
    tert-butyl acetate 225.34
    decalin 39.37
    glycerin 721.33
    diglyme 719.52
    acrylic acid 553.04
    isopropyl myristate 107.15
    n-butyric acid 1241.55
    acetyl acetate 167.15
    di(2-ethylhexyl) phthalate 120.08
    ethyl propionate 170.32
    nitromethane 1007.35
    1,2-diethoxyethane 345.85
    benzonitrile 278.48
    trioctyl phosphate 116.89
    1-bromopropane 312.17
    gamma-valerolactone 1116.29
    n-decanol 165.64
    triethyl phosphate 103.54
    4-methyl-2-pentanol 301.56
    propionitrile 510.58
    vinylene carbonate 436.19
    1,1,2-trichlorotrifluoroethane 652.31
    DMS 127.19
    cumene 49.52
    2-octanol 222.92
    2-hexanone 285.4
    octyl acetate 144.18
    limonene 149.35
    1,2-dimethoxyethane 901.95
    ethyl orthosilicate 109.82
    tributyl phosphate 117.35
    diacetone alcohol 360.87
    N,N-dimethylaniline 95.19
    acrylonitrile 498.88
    aniline 203.6
    1,3-propanediol 1358.59
    bromobenzene 140.25
    dibromomethane 576.6
    1,1,2,2-tetrachloroethane 640.99
    2-methyl-cyclohexyl acetate 212.46
    tetrabutyl urea 148.39
    diisobutyl methanol 210.64
    2-phenylethanol 251.38
    styrene 58.65
    dioctyl adipate 154.42
    dimethyl sulfate 133.45
    ethyl butyrate 267.8
    methyl lactate 186.09
    butyl lactate 230.02
    diethyl carbonate 148.44
    propanediol butyl ether 432.24
    triethyl orthoformate 196.97
    p-tert-butyltoluene 75.25
    methyl 4-tert-butylbenzoate 185.48
    morpholine 1722.0
    tert-butylamine 978.04
    n-dodecanol 122.66
    dimethoxymethane 383.93
    ethylene carbonate 404.71
    cyrene 256.14
    2-ethoxyethyl acetate 212.07
    2-ethylhexyl acetate 252.68
    1,2,4-trichlorobenzene 206.81
    4-methylpyridine 333.92
    dibutyl ether 227.58
    2,6-dimethyl-4-heptanol 210.64
    DEF 364.02
    dimethyl isosorbide 408.0
    tetrachloroethylene 465.96
    eugenol 195.64
    triacetin 195.17
    span 80 334.89
    1,4-butanediol 457.28
    1,1-dichloroethane 478.51
    2-methyl-1-pentanol 474.78
    methyl formate 402.12
    2-methyl-1-butanol 738.1
    n-decane 33.98
    butyronitrile 680.38
    3,7-dimethyl-1-octanol 241.85
    1-chlorooctane 129.49
    1-chlorotetradecane 44.27
    n-nonane 35.87
    undecane 24.23
    tert-butylcyclohexane 41.54
    cyclooctane 32.98
    cyclopentanol 1226.79
    tetrahydropyran 1388.94
    tert-amyl methyl ether 261.8
    2,5,8-trioxanonane 450.44
    1-hexene 171.72
    2-isopropoxyethanol 408.47
    2,2,2-trifluoroethanol 264.31
    methyl butyrate 317.7

    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