3,7-Dimethyloctane-1,2-diol

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  • Identifiers

    CAS number
    1823869-52-8

    Molecular formula
    C10H22O2

    SMILES
    CC(C)CCCC(C)C(CO)O

  • Odor profile

    Fragrance
    Mint 43.56%
    Woody 39.43%
    Oily 35.93%
    Odorless 34.75%
    Cooling 33.43%
    Fresh 26.71%
    Alcoholic 24.61%
    Dry 24.41%
    Herbal 24.3%
    Fruity 24.15%

     

    Flavor
    Mild 34.89%
    Green 33.48%
    Fresh 29.19%
    Oily 28.56%
    Waxy 28.49%
    Musty 25.18%
    Floral 24.91%
    Citrus 24.51%
    Yeasty 24.36%
    Herbal 23.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.34 (weak base)

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    259°C

    Flash point

    • 125.15 ˚C est.

  • Synonyms

    • 1823869-52-8
    • 3,7-dimethyloctane-1,2-diol
    • DTXSID901307745

  • Applications

    3,7-Dimethyloctane-1,2-diol is typically used as an intermediate in organic synthesis and can act as a polyol component in polyurethane and polyester formulations; it may function as a solvent or co-solvent in industrial formulations and coatings; in cosmetics and personal care it can serve as a humectant or solvent for active ingredients; it is also evaluated as a building block for functional polymers and may be used in coatings, inks, or adhesive formulations; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1395.4
    methanol 1861.32
    isopropanol 1007.42
    water 2.23
    ethyl acetate 441.81
    n-propanol 1074.5
    acetone 405.33
    n-butanol 953.1
    acetonitrile 233.2
    DMF 280.93
    toluene 65.98
    isobutanol 758.97
    1,4-dioxane 793.44
    methyl acetate 278.2
    THF 1283.91
    2-butanone 326.0
    n-pentanol 489.71
    sec-butanol 662.81
    n-hexane 68.67
    ethylene glycol 269.63
    NMP 324.51
    cyclohexane 110.55
    DMSO 794.41
    n-butyl acetate 580.57
    n-octanol 212.67
    chloroform 355.95
    n-propyl acetate 353.66
    acetic acid 987.56
    dichloromethane 247.62
    cyclohexanone 710.56
    propylene glycol 395.03
    isopropyl acetate 317.49
    DMAc 203.97
    2-ethoxyethanol 684.51
    isopentanol 810.94
    n-heptane 68.67
    ethyl formate 321.2
    1,2-dichloroethane 224.26
    n-hexanol 902.24
    2-methoxyethanol 1254.7
    isobutyl acetate 221.48
    tetrachloromethane 127.08
    n-pentyl acetate 238.96
    transcutol 1589.45
    n-heptanol 341.22
    ethylbenzene 53.08
    MIBK 273.49
    2-propoxyethanol 1003.67
    tert-butanol 1475.48
    MTBE 621.28
    2-butoxyethanol 560.63
    propionic acid 596.84
    o-xylene 68.19
    formic acid 382.53
    diethyl ether 329.5
    m-xylene 79.69
    p-xylene 75.98
    chlorobenzene 115.69
    dimethyl carbonate 53.67
    n-octane 20.59
    formamide 381.88
    cyclopentanone 671.93
    2-pentanone 346.78
    anisole 130.09
    cyclopentyl methyl ether 513.56
    gamma-butyrolactone 731.45
    1-methoxy-2-propanol 826.44
    pyridine 292.28
    3-pentanone 181.53
    furfural 528.15
    n-dodecane 11.0
    diethylene glycol 652.88
    diisopropyl ether 155.64
    tert-amyl alcohol 891.02
    acetylacetone 340.46
    n-hexadecane 12.17
    acetophenone 137.84
    methyl propionate 221.28
    isopentyl acetate 517.38
    trichloroethylene 408.09
    n-nonanol 174.91
    cyclohexanol 692.61
    benzyl alcohol 180.09
    2-ethylhexanol 495.55
    isooctanol 279.53
    dipropyl ether 367.82
    1,2-dichlorobenzene 127.74
    ethyl lactate 161.6
    propylene carbonate 405.83
    n-methylformamide 382.46
    2-pentanol 561.96
    n-pentane 52.19
    1-propoxy-2-propanol 832.01
    1-methoxy-2-propyl acetate 430.16
    2-(2-methoxypropoxy) propanol 312.5
    mesitylene 67.05
    ε-caprolactone 600.67
    p-cymene 79.32
    epichlorohydrin 637.53
    1,1,1-trichloroethane 235.19
    2-aminoethanol 684.35
    morpholine-4-carbaldehyde 526.05
    sulfolane 715.54
    2,2,4-trimethylpentane 43.81
    2-methyltetrahydrofuran 905.28
    n-hexyl acetate 282.77
    isooctane 41.56
    2-(2-butoxyethoxy)ethanol 538.47
    sec-butyl acetate 241.95
    tert-butyl acetate 405.8
    decalin 41.29
    glycerin 490.56
    diglyme 844.71
    acrylic acid 362.71
    isopropyl myristate 93.1
    n-butyric acid 1138.13
    acetyl acetate 206.29
    di(2-ethylhexyl) phthalate 105.08
    ethyl propionate 218.78
    nitromethane 641.19
    1,2-diethoxyethane 430.46
    benzonitrile 184.42
    trioctyl phosphate 98.17
    1-bromopropane 136.92
    gamma-valerolactone 949.48
    n-decanol 122.18
    triethyl phosphate 122.43
    4-methyl-2-pentanol 358.21
    propionitrile 262.66
    vinylene carbonate 283.0
    1,1,2-trichlorotrifluoroethane 596.37
    DMS 125.57
    cumene 56.54
    2-octanol 179.38
    2-hexanone 301.39
    octyl acetate 124.07
    limonene 160.42
    1,2-dimethoxyethane 744.52
    ethyl orthosilicate 143.34
    tributyl phosphate 113.43
    diacetone alcohol 535.01
    N,N-dimethylaniline 95.43
    acrylonitrile 233.87
    aniline 194.56
    1,3-propanediol 1071.45
    bromobenzene 94.39
    dibromomethane 197.02
    1,1,2,2-tetrachloroethane 417.64
    2-methyl-cyclohexyl acetate 271.41
    tetrabutyl urea 119.31
    diisobutyl methanol 253.77
    2-phenylethanol 257.81
    styrene 53.46
    dioctyl adipate 145.45
    dimethyl sulfate 101.42
    ethyl butyrate 366.4
    methyl lactate 169.12
    butyl lactate 251.83
    diethyl carbonate 176.2
    propanediol butyl ether 404.28
    triethyl orthoformate 261.96
    p-tert-butyltoluene 83.94
    methyl 4-tert-butylbenzoate 193.17
    morpholine 1048.58
    tert-butylamine 887.38
    n-dodecanol 89.02
    dimethoxymethane 257.6
    ethylene carbonate 289.03
    cyrene 238.81
    2-ethoxyethyl acetate 277.92
    2-ethylhexyl acetate 360.12
    1,2,4-trichlorobenzene 148.96
    4-methylpyridine 247.14
    dibutyl ether 186.94
    2,6-dimethyl-4-heptanol 253.77
    DEF 312.83
    dimethyl isosorbide 451.24
    tetrachloroethylene 392.81
    eugenol 201.24
    triacetin 213.68
    span 80 348.45
    1,4-butanediol 334.4
    1,1-dichloroethane 213.21
    2-methyl-1-pentanol 418.19
    methyl formate 226.8
    2-methyl-1-butanol 649.03
    n-decane 21.52
    butyronitrile 396.14
    3,7-dimethyl-1-octanol 243.43
    1-chlorooctane 85.46
    1-chlorotetradecane 27.87
    n-nonane 22.36
    undecane 14.76
    tert-butylcyclohexane 47.73
    cyclooctane 36.19
    cyclopentanol 745.69
    tetrahydropyran 814.5
    tert-amyl methyl ether 369.12
    2,5,8-trioxanonane 484.78
    1-hexene 152.85
    2-isopropoxyethanol 471.96
    2,2,2-trifluoroethanol 229.85
    methyl butyrate 365.84

    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