2-Octanol, 2,6-dimethyl-, 2-formate

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  • Identifiers

    CAS number
    72785-17-2

    Molecular formula
    C11H22O2

    SMILES
    CCC(C)CCCC(C)(C)OC=O

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.09%
    Citrus 62.57%
    Herbal 61.94%
    Fresh 58.86%
    Fruity 54.03%
    Woody 49.74%
    Green 46.92%
    Rose 40.83%
    Lavender 37.41%
    Bergamot 36.28%

     

    Flavor
    Green 60.41%
    Floral 50.38%
    Waxy 41.89%
    Citrus 41.59%
    Rose 37.87%
    Bitter 37.21%
    Fruity 36.61%
    Oily 35.35%
    Lily 32.66%
    Fresh 32.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.81 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    211°C

    Flash point

    • 77.21 ˚C est.

  • Synonyms

    • 2,6-Dimethyloctan-2-yl formate
    • 72785-17-2
    • 2-Octanol, 2,6-dimethyl-, formate
    • 2-Octanol, 2,6-dimethyl-, 2-formate
    • EINECS 276-838-8
    • DTXSID10888194
    • RefChem:88852
    • DTXCID201027475
    • 2,6-Dimethyl-2-octyl formate
    • SCHEMBL25228829
    • KQZSQDZXBHFWGC-UHFFFAOYSA-N
    • 72785-17-2

  • Applications

    2-Octanol, 2,6-dimethyl-, 2-formate is primarily used in fragrance chemistry as an odorant and fragrance fixative, and as a solvent or carrier in cosmetics and personal care products. It can also serve as a processing solvent in household products such as cleaners and air fresheners. In industrial manufacturing, it is employed as an intermediate in organic synthesis and as a solvent for coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2860.23
    methanol 2620.87
    isopropanol 2561.95
    water 0.49
    ethyl acetate 2340.12
    n-propanol 2187.96
    acetone 2204.76
    n-butanol 2093.73
    acetonitrile 1394.97
    DMF 1497.48
    toluene 839.65
    isobutanol 1600.86
    1,4-dioxane 3186.96
    methyl acetate 1472.35
    THF 4284.28
    2-butanone 1812.35
    n-pentanol 1330.9
    sec-butanol 1829.09
    n-hexane 654.42
    ethylene glycol 204.35
    NMP 1401.59
    cyclohexane 792.02
    DMSO 1244.4
    n-butyl acetate 2028.95
    n-octanol 589.36
    chloroform 3808.78
    n-propyl acetate 1327.76
    acetic acid 1241.51
    dichloromethane 2717.89
    cyclohexanone 2725.39
    propylene glycol 532.85
    isopropyl acetate 1619.96
    DMAc 1127.54
    2-ethoxyethanol 1247.57
    isopentanol 1813.42
    n-heptane 255.16
    ethyl formate 974.25
    1,2-dichloroethane 1903.07
    n-hexanol 2040.08
    2-methoxyethanol 2063.27
    isobutyl acetate 921.52
    tetrachloromethane 687.85
    n-pentyl acetate 859.89
    transcutol 4005.17
    n-heptanol 596.51
    ethylbenzene 463.42
    MIBK 1141.77
    2-propoxyethanol 2211.2
    tert-butanol 3027.17
    MTBE 2811.72
    2-butoxyethanol 880.35
    propionic acid 1153.81
    o-xylene 503.58
    formic acid 302.22
    diethyl ether 2557.85
    m-xylene 637.47
    p-xylene 626.13
    chlorobenzene 1117.13
    dimethyl carbonate 290.11
    n-octane 81.82
    formamide 384.81
    cyclopentanone 2218.72
    2-pentanone 1770.89
    anisole 851.51
    cyclopentyl methyl ether 2151.12
    gamma-butyrolactone 2225.57
    1-methoxy-2-propanol 1800.57
    pyridine 1772.44
    3-pentanone 1128.17
    furfural 1493.57
    n-dodecane 55.09
    diethylene glycol 989.48
    diisopropyl ether 828.74
    tert-amyl alcohol 2239.27
    acetylacetone 1411.62
    n-hexadecane 65.11
    acetophenone 672.82
    methyl propionate 1225.2
    isopentyl acetate 1781.5
    trichloroethylene 3027.11
    n-nonanol 505.01
    cyclohexanol 2059.02
    benzyl alcohol 617.91
    2-ethylhexanol 1057.23
    isooctanol 488.38
    dipropyl ether 1285.9
    1,2-dichlorobenzene 917.5
    ethyl lactate 432.84
    propylene carbonate 1289.44
    n-methylformamide 813.72
    2-pentanol 1492.65
    n-pentane 394.52
    1-propoxy-2-propanol 1736.92
    1-methoxy-2-propyl acetate 1599.28
    2-(2-methoxypropoxy) propanol 837.89
    mesitylene 427.69
    ε-caprolactone 2409.83
    p-cymene 343.45
    epichlorohydrin 2537.15
    1,1,1-trichloroethane 2399.25
    2-aminoethanol 691.7
    morpholine-4-carbaldehyde 1680.07
    sulfolane 1891.28
    2,2,4-trimethylpentane 191.36
    2-methyltetrahydrofuran 3665.84
    n-hexyl acetate 1283.57
    isooctane 169.0
    2-(2-butoxyethoxy)ethanol 1229.22
    sec-butyl acetate 1035.11
    tert-butyl acetate 1634.49
    decalin 275.03
    glycerin 517.37
    diglyme 1977.42
    acrylic acid 696.33
    isopropyl myristate 431.68
    n-butyric acid 2317.51
    acetyl acetate 1039.11
    di(2-ethylhexyl) phthalate 361.02
    ethyl propionate 1056.92
    nitromethane 1458.52
    1,2-diethoxyethane 1674.43
    benzonitrile 937.47
    trioctyl phosphate 271.3
    1-bromopropane 1672.98
    gamma-valerolactone 2762.4
    n-decanol 359.74
    triethyl phosphate 369.51
    4-methyl-2-pentanol 866.7
    propionitrile 1345.47
    vinylene carbonate 1014.97
    1,1,2-trichlorotrifluoroethane 1469.18
    DMS 681.8
    cumene 345.87
    2-octanol 430.32
    2-hexanone 1370.33
    octyl acetate 522.14
    limonene 647.86
    1,2-dimethoxyethane 2312.7
    ethyl orthosilicate 401.3
    tributyl phosphate 385.2
    diacetone alcohol 1384.67
    N,N-dimethylaniline 512.09
    acrylonitrile 1115.1
    aniline 1014.97
    1,3-propanediol 1120.03
    bromobenzene 1201.2
    dibromomethane 2150.61
    1,1,2,2-tetrachloroethane 2843.13
    2-methyl-cyclohexyl acetate 841.0
    tetrabutyl urea 411.72
    diisobutyl methanol 556.35
    2-phenylethanol 886.57
    styrene 568.63
    dioctyl adipate 559.65
    dimethyl sulfate 396.92
    ethyl butyrate 1173.27
    methyl lactate 493.84
    butyl lactate 618.99
    diethyl carbonate 633.6
    propanediol butyl ether 811.31
    triethyl orthoformate 735.03
    p-tert-butyltoluene 353.55
    methyl 4-tert-butylbenzoate 620.77
    morpholine 4115.62
    tert-butylamine 2146.85
    n-dodecanol 262.44
    dimethoxymethane 1180.12
    ethylene carbonate 1044.24
    cyrene 600.46
    2-ethoxyethyl acetate 969.25
    2-ethylhexyl acetate 1357.26
    1,2,4-trichlorobenzene 1053.77
    4-methylpyridine 1830.18
    dibutyl ether 1020.52
    2,6-dimethyl-4-heptanol 556.35
    DEF 1524.47
    dimethyl isosorbide 1332.33
    tetrachloroethylene 1758.66
    eugenol 575.23
    triacetin 854.91
    span 80 853.1
    1,4-butanediol 387.01
    1,1-dichloroethane 2531.81
    2-methyl-1-pentanol 1148.25
    methyl formate 528.15
    2-methyl-1-butanol 1468.7
    n-decane 111.36
    butyronitrile 1837.4
    3,7-dimethyl-1-octanol 725.44
    1-chlorooctane 447.1
    1-chlorotetradecane 156.56
    n-nonane 118.01
    undecane 75.38
    tert-butylcyclohexane 277.09
    cyclooctane 210.79
    cyclopentanol 1829.03
    tetrahydropyran 4474.23
    tert-amyl methyl ether 1638.15
    2,5,8-trioxanonane 1190.35
    1-hexene 1554.4
    2-isopropoxyethanol 990.95
    2,2,2-trifluoroethanol 312.15
    methyl butyrate 1418.35

    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