1-Hexanol, 3,5,5-trimethyl-, 1-formate

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  • Identifiers

    CAS number
    67355-38-8

    Molecular formula
    C10H20O2

    SMILES
    CC(CCOC=O)CC(C)(C)C

  • Odor profile

    Fragrance
    Green 80.8%
    Herbal 67.83%
    Woody 67.05%
    Floral 56.88%
    Fruity 47.84%
    Fresh 45.45%
    Spicy 43.12%
    Citrus 39.97%
    Leafy 36.26%
    Dry 35.03%

     

    Flavor
    Green 77.11%
    Floral 57.01%
    Bitter 51.5%
    Rose 44.73%
    Fruity 44.42%
    Waxy 37.24%
    Earthy 34.01%
    Citrus 33.89%
    Tropical 33.73%
    Leaf 31.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.78 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    194°C

    Flash point

    • 67.2 ˚C est.

  • Synonyms

    • 3,5,5-Trimethylhexyl formate
    • 67355-38-8
    • 1-Hexanol, 3,5,5-trimethyl-, 1-formate
    • EINECS 266-661-4
    • 1-Hexanol, 3,5,5-trimethyl-, formate
    • DTXSID60867272
    • nonisyl formate
    • SCHEMBL812865
    • DTXCID90815468
    • MMANPPDMMOUQIX-UHFFFAOYSA-N
    • AKOS006274938
    • NS00013288

  • Applications

    1-Hexanol, 3,5,5-trimethyl-, 1-formate (CAS 67355-38-8) is primarily used as a solvent and processing medium in fragrance and cosmetics formulations, where it can serve as a carrier for aroma compounds and active ingredients; it is also employed as a fragrance component or odorant in perfumery, sometimes contributing to specific notes; in coatings, inks, and related industrial formulations, it functions as a solvent for resins and additives, helping achieve desired evaporation and film properties; it can be used in household products and cleaners as a solvent or carrier for fragrance and functional ingredients; and in industrial manufacturing and organic synthesis, it serves as a reactive formate ester that can act as a chemical intermediate or source for further esterification. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1804.97
    methanol 1622.01
    isopropanol 1456.14
    water 2.47
    ethyl acetate 1752.81
    n-propanol 1430.6
    acetone 1579.89
    n-butanol 1392.0
    acetonitrile 859.41
    DMF 1398.79
    toluene 556.58
    isobutanol 1215.23
    1,4-dioxane 1392.56
    methyl acetate 1348.99
    THF 3183.51
    2-butanone 1349.87
    n-pentanol 701.95
    sec-butanol 1251.21
    n-hexane 255.41
    ethylene glycol 346.28
    NMP 1707.59
    cyclohexane 287.19
    DMSO 1055.36
    n-butyl acetate 1457.77
    n-octanol 546.35
    chloroform 2439.87
    n-propyl acetate 913.83
    acetic acid 1920.87
    dichloromethane 1769.25
    cyclohexanone 2162.8
    propylene glycol 662.91
    isopropyl acetate 1376.04
    DMAc 1207.32
    2-ethoxyethanol 917.41
    isopentanol 1279.28
    n-heptane 147.14
    ethyl formate 858.57
    1,2-dichloroethane 1381.27
    n-hexanol 1543.35
    2-methoxyethanol 1786.82
    isobutyl acetate 733.0
    tetrachloromethane 534.04
    n-pentyl acetate 734.54
    transcutol 3278.8
    n-heptanol 547.45
    ethylbenzene 308.15
    MIBK 1112.47
    2-propoxyethanol 1990.61
    tert-butanol 1906.04
    MTBE 1713.67
    2-butoxyethanol 890.9
    propionic acid 1409.88
    o-xylene 396.38
    formic acid 619.92
    diethyl ether 1327.72
    m-xylene 564.36
    p-xylene 400.44
    chlorobenzene 778.52
    dimethyl carbonate 489.66
    n-octane 64.71
    formamide 529.05
    cyclopentanone 2231.36
    2-pentanone 1445.18
    anisole 630.27
    cyclopentyl methyl ether 1889.41
    gamma-butyrolactone 2424.62
    1-methoxy-2-propanol 1681.17
    pyridine 955.7
    3-pentanone 949.44
    furfural 1600.66
    n-dodecane 42.65
    diethylene glycol 1126.45
    diisopropyl ether 606.96
    tert-amyl alcohol 1537.6
    acetylacetone 1408.11
    n-hexadecane 48.92
    acetophenone 610.63
    methyl propionate 1183.42
    isopentyl acetate 1479.69
    trichloroethylene 2705.05
    n-nonanol 442.24
    cyclohexanol 1488.96
    benzyl alcohol 490.4
    2-ethylhexanol 759.15
    isooctanol 450.57
    dipropyl ether 771.28
    1,2-dichlorobenzene 774.87
    ethyl lactate 480.07
    propylene carbonate 1516.32
    n-methylformamide 951.07
    2-pentanol 1197.01
    n-pentane 227.92
    1-propoxy-2-propanol 1465.19
    1-methoxy-2-propyl acetate 1530.86
    2-(2-methoxypropoxy) propanol 759.59
    mesitylene 400.68
    ε-caprolactone 1905.04
    p-cymene 301.0
    epichlorohydrin 2402.63
    1,1,1-trichloroethane 1950.7
    2-aminoethanol 774.42
    morpholine-4-carbaldehyde 1593.64
    sulfolane 2324.15
    2,2,4-trimethylpentane 158.48
    2-methyltetrahydrofuran 2356.12
    n-hexyl acetate 1235.26
    isooctane 150.92
    2-(2-butoxyethoxy)ethanol 1098.69
    sec-butyl acetate 802.47
    tert-butyl acetate 1789.64
    decalin 153.18
    glycerin 740.79
    diglyme 1651.98
    acrylic acid 1062.81
    isopropyl myristate 391.58
    n-butyric acid 2175.95
    acetyl acetate 1140.54
    di(2-ethylhexyl) phthalate 338.17
    ethyl propionate 804.4
    nitromethane 2015.61
    1,2-diethoxyethane 949.57
    benzonitrile 641.29
    trioctyl phosphate 279.88
    1-bromopropane 1025.43
    gamma-valerolactone 2494.22
    n-decanol 304.88
    triethyl phosphate 348.66
    4-methyl-2-pentanol 742.71
    propionitrile 901.7
    vinylene carbonate 1122.06
    1,1,2-trichlorotrifluoroethane 1898.15
    DMS 830.66
    cumene 273.71
    2-octanol 380.6
    2-hexanone 862.24
    octyl acetate 481.51
    limonene 530.6
    1,2-dimethoxyethane 1203.09
    ethyl orthosilicate 377.64
    tributyl phosphate 387.06
    diacetone alcohol 1620.99
    N,N-dimethylaniline 439.93
    acrylonitrile 871.31
    aniline 691.09
    1,3-propanediol 1065.46
    bromobenzene 790.11
    dibromomethane 1337.65
    1,1,2,2-tetrachloroethane 2213.6
    2-methyl-cyclohexyl acetate 742.26
    tetrabutyl urea 401.55
    diisobutyl methanol 470.57
    2-phenylethanol 737.34
    styrene 324.27
    dioctyl adipate 505.42
    dimethyl sulfate 699.45
    ethyl butyrate 813.76
    methyl lactate 701.11
    butyl lactate 662.32
    diethyl carbonate 491.65
    propanediol butyl ether 922.75
    triethyl orthoformate 571.95
    p-tert-butyltoluene 336.43
    methyl 4-tert-butylbenzoate 686.72
    morpholine 1917.64
    tert-butylamine 1191.62
    n-dodecanol 219.81
    dimethoxymethane 1123.75
    ethylene carbonate 1058.01
    cyrene 641.11
    2-ethoxyethyl acetate 876.52
    2-ethylhexyl acetate 1066.28
    1,2,4-trichlorobenzene 884.83
    4-methylpyridine 1159.5
    dibutyl ether 595.49
    2,6-dimethyl-4-heptanol 470.57
    DEF 1237.29
    dimethyl isosorbide 1234.44
    tetrachloroethylene 1424.77
    eugenol 595.59
    triacetin 853.61
    span 80 712.94
    1,4-butanediol 378.95
    1,1-dichloroethane 1793.29
    2-methyl-1-pentanol 663.72
    methyl formate 755.86
    2-methyl-1-butanol 1227.05
    n-decane 85.25
    butyronitrile 1111.39
    3,7-dimethyl-1-octanol 589.96
    1-chlorooctane 396.23
    1-chlorotetradecane 132.66
    n-nonane 88.91
    undecane 57.7
    tert-butylcyclohexane 176.33
    cyclooctane 116.58
    cyclopentanol 1417.04
    tetrahydropyran 2010.5
    tert-amyl methyl ether 1331.11
    2,5,8-trioxanonane 944.86
    1-hexene 664.04
    2-isopropoxyethanol 729.3
    2,2,2-trifluoroethanol 745.88
    methyl butyrate 1005.27

    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