1,3-Octanediol, 2-methyl-, 1,3-diacetate

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  • Identifiers

    CAS number
    67634-09-7

    Molecular formula
    C13H24O4

    SMILES
    CCCCCC(C(C)COC(=O)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 71.26%
    Fruity 58.01%
    Fresh 43.97%
    Herbal 41.86%
    Sweet 39.87%
    Jasmin 35.28%
    Green 34.2%
    Woody 31.99%
    Oily 29.07%
    Rose 28.41%

     

    Flavor
    Fruity 79.0%
    Green 51.07%
    Tropical 50.62%
    Sweet 43.62%
    Herbal 42.73%
    Fruit 37.14%
    Woody 34.25%
    Citrus 32.14%
    Berry 29.96%
    Fresh 29.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.53 (neutral)

    Molecular weight
    244.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    271°C

    Flash point

    • 125.63 ˚C est.

  • Synonyms

    • 2-Methyloctane-1,3-diyl diacetate
    • 1,3-Octanediol, 2-methyl-, diacetate
    • EINECS 266-812-4
    • 1,3-Octanediol, 2-methyl-, 1,3-diacetate
    • DTXSID80867294
    • RefChem:72891
    • DTXCID30815487
    • 266-812-4
    • 67634-09-7
    • (3-acetyloxy-2-methyloctyl) acetate
    • TVGYJOZXWMFEJX-UHFFFAOYSA-N
    • NS00012944
    • 67634-09-7

  • Applications

    Chemical name 1,3-Octanediol, 2-methyl-, 1,3-diacetate (CAS 67634-09-7) is commonly used as a chemical intermediate and plasticizer precursor in polymer and coating applications. It serves as a building block for specialty esters used in fragrances and cosmetic formulations, and can function as a solvent or processing aid in coatings, inks, and adhesives. In polymerization-driven industries, it is evaluated for use in the synthesis of polyesters and polyurethane systems, helping to adjust flexibility and film properties. It may be employed as a starting material for fragrance/fine chemical manufacturing and for formulation components in household products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1627.57
    methanol 2400.39
    isopropanol 1492.78
    water 3.34
    ethyl acetate 1175.87
    n-propanol 1121.69
    acetone 2420.92
    n-butanol 956.79
    acetonitrile 1167.85
    DMF 2704.57
    toluene 354.22
    isobutanol 966.78
    1,4-dioxane 1344.7
    methyl acetate 1022.23
    THF 2110.7
    2-butanone 1184.2
    n-pentanol 673.46
    sec-butanol 1076.01
    n-hexane 44.98
    ethylene glycol 298.43
    NMP 2244.39
    cyclohexane 54.71
    DMSO 2822.68
    n-butyl acetate 581.26
    n-octanol 225.66
    chloroform 2023.3
    n-propyl acetate 553.14
    acetic acid 2245.92
    dichloromethane 1706.71
    cyclohexanone 1883.02
    propylene glycol 568.73
    isopropyl acetate 850.85
    DMAc 2570.66
    2-ethoxyethanol 1001.72
    isopentanol 909.11
    n-heptane 12.07
    ethyl formate 718.96
    1,2-dichloroethane 1168.66
    n-hexanol 459.55
    2-methoxyethanol 1682.81
    isobutyl acetate 426.03
    tetrachloromethane 229.3
    n-pentyl acetate 402.23
    transcutol 2074.19
    n-heptanol 180.95
    ethylbenzene 222.76
    MIBK 715.36
    2-propoxyethanol 817.2
    tert-butanol 1782.46
    MTBE 1116.93
    2-butoxyethanol 433.54
    propionic acid 1084.85
    o-xylene 279.39
    formic acid 753.82
    diethyl ether 699.53
    m-xylene 304.89
    p-xylene 318.95
    chlorobenzene 583.18
    dimethyl carbonate 363.35
    n-octane 10.01
    formamide 807.37
    cyclopentanone 1919.99
    2-pentanone 1058.72
    anisole 479.98
    cyclopentyl methyl ether 940.94
    gamma-butyrolactone 2148.88
    1-methoxy-2-propanol 1299.62
    pyridine 908.61
    3-pentanone 647.23
    furfural 1502.81
    n-dodecane 11.07
    diethylene glycol 635.9
    diisopropyl ether 213.11
    tert-amyl alcohol 1228.35
    acetylacetone 1371.58
    n-hexadecane 13.02
    acetophenone 552.18
    methyl propionate 826.34
    isopentyl acetate 585.17
    trichloroethylene 2120.44
    n-nonanol 192.74
    cyclohexanol 924.83
    benzyl alcohol 511.83
    2-ethylhexanol 233.98
    isooctanol 159.87
    dipropyl ether 202.07
    1,2-dichlorobenzene 531.12
    ethyl lactate 281.24
    propylene carbonate 1119.28
    n-methylformamide 1157.16
    2-pentanol 628.46
    n-pentane 29.09
    1-propoxy-2-propanol 527.45
    1-methoxy-2-propyl acetate 606.03
    2-(2-methoxypropoxy) propanol 450.04
    mesitylene 178.72
    ε-caprolactone 1598.1
    p-cymene 108.56
    epichlorohydrin 1841.89
    1,1,1-trichloroethane 1112.03
    2-aminoethanol 639.51
    morpholine-4-carbaldehyde 1691.54
    sulfolane 2410.56
    2,2,4-trimethylpentane 35.54
    2-methyltetrahydrofuran 1484.77
    n-hexyl acetate 602.54
    isooctane 25.66
    2-(2-butoxyethoxy)ethanol 615.0
    sec-butyl acetate 451.65
    tert-butyl acetate 851.29
    decalin 52.23
    glycerin 654.04
    diglyme 1096.43
    acrylic acid 824.08
    isopropyl myristate 179.0
    n-butyric acid 1499.32
    acetyl acetate 826.77
    di(2-ethylhexyl) phthalate 211.05
    ethyl propionate 474.83
    nitromethane 2904.38
    1,2-diethoxyethane 543.06
    benzonitrile 613.52
    trioctyl phosphate 145.3
    1-bromopropane 607.76
    gamma-valerolactone 2366.73
    n-decanol 132.04
    triethyl phosphate 187.06
    4-methyl-2-pentanol 350.54
    propionitrile 726.95
    vinylene carbonate 949.84
    1,1,2-trichlorotrifluoroethane 1370.41
    DMS 499.67
    cumene 160.39
    2-octanol 154.19
    2-hexanone 599.82
    octyl acetate 232.5
    limonene 171.94
    1,2-dimethoxyethane 1464.13
    ethyl orthosilicate 176.87
    tributyl phosphate 200.55
    diacetone alcohol 952.32
    N,N-dimethylaniline 328.3
    acrylonitrile 827.55
    aniline 579.24
    1,3-propanediol 904.77
    bromobenzene 595.81
    dibromomethane 1111.29
    1,1,2,2-tetrachloroethane 1900.74
    2-methyl-cyclohexyl acetate 324.03
    tetrabutyl urea 252.16
    diisobutyl methanol 138.35
    2-phenylethanol 374.73
    styrene 281.38
    dioctyl adipate 301.65
    dimethyl sulfate 718.4
    ethyl butyrate 332.82
    methyl lactate 455.54
    butyl lactate 365.83
    diethyl carbonate 242.28
    propanediol butyl ether 559.56
    triethyl orthoformate 232.38
    p-tert-butyltoluene 106.56
    methyl 4-tert-butylbenzoate 414.83
    morpholine 1760.36
    tert-butylamine 814.27
    n-dodecanol 95.21
    dimethoxymethane 1018.7
    ethylene carbonate 827.29
    cyrene 485.65
    2-ethoxyethyl acetate 571.12
    2-ethylhexyl acetate 407.52
    1,2,4-trichlorobenzene 664.18
    4-methylpyridine 1287.86
    dibutyl ether 268.54
    2,6-dimethyl-4-heptanol 138.35
    DEF 1292.09
    dimethyl isosorbide 710.05
    tetrachloroethylene 1068.88
    eugenol 380.93
    triacetin 599.28
    span 80 407.28
    1,4-butanediol 389.93
    1,1-dichloroethane 1312.34
    2-methyl-1-pentanol 618.95
    methyl formate 856.2
    2-methyl-1-butanol 818.71
    n-decane 19.73
    butyronitrile 882.84
    3,7-dimethyl-1-octanol 244.23
    1-chlorooctane 127.63
    1-chlorotetradecane 46.81
    n-nonane 18.54
    undecane 14.08
    tert-butylcyclohexane 51.0
    cyclooctane 16.66
    cyclopentanol 990.61
    tetrahydropyran 1297.51
    tert-amyl methyl ether 731.3
    2,5,8-trioxanonane 685.5
    1-hexene 236.27
    2-isopropoxyethanol 670.84
    2,2,2-trifluoroethanol 677.88
    methyl butyrate 735.44

    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