1-Methyloctyl acetate

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  • Identifiers

    CAS number
    14936-66-4

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCC(C)OC(=O)C

    Retention indicies (RI)

    • DB5: 1260.0

  • Odor profile

    Fruity 84.66%
    Floral 71.94%
    Waxy 66.45%
    Citrus 60.94%
    Green 59.63%
    Herbal 54.95%
    Fatty 53.23%
    Fresh 53.2%
    Rose 50.18%
    Sweet 44.6%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.47 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point est.
    85.94 ˚C

  • Synonyms

    • 1-Methyloctyl acetate
    • 14936-66-4
    • 2-Nonyl acetate
    • nonan-2-yl acetate
    • Acetic Acid 2-Nonyl Ester
    • 2-Nonanol, 2-acetate
    • ACETICACID2-NONYLESTER
    • 2-nonanol, acetate
    • EINECS 239-010-7
    • SCHEMBL1301932
    • Acetic Acid 1-Methyloctyl Ester
    • GSUGVJOUDSLEBL-UHFFFAOYSA-
    • DTXSID40933626
    • MFCD01321125
    • AKOS037645124
    • AS-57352
    • DB-042989
    • A1419
    • CS-0152289
    • NS00052662
    • D88435
    • InChI=1/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3

  • Applications

    1-Methyloctyl acetate (CAS 14936-66-4) is a branched C10 acetate ester used primarily as a fragrance ingredient in fine fragrances, personal care, and household cleaners thanks to a light fruity–floral odor, moderate volatility, and a high boiling point, acting as a carrier/fixative to extend scent lifetime; it is also employed as a high-boiling, mildly polar solvent or co-solvent for resins, coatings, and printing inks (e.g., nitrocellulose, acrylics, alkyds), where it enhances solvency, flow and leveling, open time, and gloss while softening harsh solvent notes, and it can function as a coalescent in waterborne paint systems; in synthesis and R&D it serves as a chemical intermediate (amenable to transesterification or hydrolysis back to the corresponding alcohol), a reference standard, and an organic phase/solvent for analytical procedures and extractions; additionally it appears in some light-duty industrial cleaners and surface-prep formulations due to its grease-solubilizing ability combined with a pleasant odor, and, as an ester, it is typically biodegradable, making it a candidate when a low-odor, consumer-friendly solvent is desired for light industrial and consumer applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8835.9
    methanol 9099.85
    isopropanol 7858.56
    water 0.35
    ethyl acetate 5208.37
    n-propanol 6632.85
    acetone 10255.33
    n-butanol 5660.77
    acetonitrile 5387.46
    DMF 6047.61
    toluene 2031.8
    isobutanol 5232.12
    1,4-dioxane 6516.28
    methyl acetate 3894.68
    THF 9761.16
    2-butanone 6001.96
    n-pentanol 3851.76
    sec-butanol 6018.59
    n-hexane 2725.79
    ethylene glycol 665.78
    NMP 4437.95
    cyclohexane 2179.1
    DMSO 6828.65
    n-butyl acetate 4120.05
    n-octanol 1370.42
    chloroform 8467.91
    n-propyl acetate 3189.39
    acetic acid 3980.94
    dichloromethane 7001.16
    cyclohexanone 8118.8
    propylene glycol 1407.44
    isopropyl acetate 3406.41
    DMAc 3760.32
    2-ethoxyethanol 3102.66
    isopentanol 4883.81
    n-heptane 643.74
    ethyl formate 2351.06
    1,2-dichloroethane 4843.67
    n-hexanol 3956.59
    2-methoxyethanol 5347.36
    isobutyl acetate 1836.0
    tetrachloromethane 1463.36
    n-pentyl acetate 2125.4
    transcutol 8012.95
    n-heptanol 1169.85
    ethylbenzene 1039.14
    MIBK 2841.01
    2-propoxyethanol 4099.05
    tert-butanol 8214.53
    MTBE 7605.91
    2-butoxyethanol 1794.48
    propionic acid 3480.19
    o-xylene 1056.05
    formic acid 833.78
    diethyl ether 7867.15
    m-xylene 1294.21
    p-xylene 1327.2
    chlorobenzene 2376.29
    dimethyl carbonate 714.89
    n-octane 206.38
    formamide 1142.22
    cyclopentanone 6473.23
    2-pentanone 5409.75
    anisole 1650.97
    cyclopentyl methyl ether 5790.88
    gamma-butyrolactone 5423.09
    1-methoxy-2-propanol 4309.12
    pyridine 4648.21
    3-pentanone 3265.97
    furfural 3305.32
    n-dodecane 122.58
    diethylene glycol 1876.35
    diisopropyl ether 1970.67
    tert-amyl alcohol 6129.5
    acetylacetone 3844.34
    n-hexadecane 145.81
    acetophenone 1323.4
    methyl propionate 3204.03
    isopentyl acetate 3361.45
    trichloroethylene 6830.06
    n-nonanol 1083.68
    cyclohexanol 5508.14
    benzyl alcohol 1398.85
    2-ethylhexanol 2186.82
    isooctanol 972.66
    dipropyl ether 2937.89
    1,2-dichlorobenzene 1758.27
    ethyl lactate 815.53
    propylene carbonate 2570.65
    n-methylformamide 2862.89
    2-pentanol 4197.54
    n-pentane 1360.37
    1-propoxy-2-propanol 3376.81
    1-methoxy-2-propyl acetate 2579.16
    2-(2-methoxypropoxy) propanol 1445.97
    mesitylene 845.7
    ε-caprolactone 5384.23
    p-cymene 560.71
    epichlorohydrin 5900.43
    1,1,1-trichloroethane 5135.95
    2-aminoethanol 2010.26
    morpholine-4-carbaldehyde 3865.5
    sulfolane 5767.83
    2,2,4-trimethylpentane 425.11
    2-methyltetrahydrofuran 8838.69
    n-hexyl acetate 3037.96
    isooctane 324.8
    2-(2-butoxyethoxy)ethanol 2191.25
    sec-butyl acetate 2047.62
    tert-butyl acetate 3490.06
    decalin 681.09
    glycerin 1238.87
    diglyme 3712.48
    acrylic acid 1982.69
    isopropyl myristate 855.78
    n-butyric acid 5449.7
    acetyl acetate 2194.81
    di(2-ethylhexyl) phthalate 673.89
    ethyl propionate 2353.54
    nitromethane 5274.28
    1,2-diethoxyethane 3615.75
    benzonitrile 2073.58
    trioctyl phosphate 522.83
    1-bromopropane 4789.37
    gamma-valerolactone 6643.37
    n-decanol 714.2
    triethyl phosphate 643.35
    4-methyl-2-pentanol 1883.37
    propionitrile 4135.13
    vinylene carbonate 2097.78
    1,1,2-trichlorotrifluoroethane 3385.55
    DMS 1393.03
    cumene 660.55
    2-octanol 1001.68
    2-hexanone 3785.94
    octyl acetate 1052.5
    limonene 1251.26
    1,2-dimethoxyethane 5821.83
    ethyl orthosilicate 707.88
    tributyl phosphate 734.09
    diacetone alcohol 3013.87
    N,N-dimethylaniline 1051.77
    acrylonitrile 3647.85
    aniline 2533.84
    1,3-propanediol 2854.6
    bromobenzene 2681.95
    dibromomethane 5732.27
    1,1,2,2-tetrachloroethane 6360.62
    2-methyl-cyclohexyl acetate 1445.35
    tetrabutyl urea 919.03
    diisobutyl methanol 969.36
    2-phenylethanol 1412.22
    styrene 1393.33
    dioctyl adipate 1177.92
    dimethyl sulfate 1132.25
    ethyl butyrate 2102.79
    methyl lactate 1013.03
    butyl lactate 1311.29
    diethyl carbonate 985.47
    propanediol butyl ether 1716.3
    triethyl orthoformate 1267.46
    p-tert-butyltoluene 560.24
    methyl 4-tert-butylbenzoate 1118.98
    morpholine 9254.51
    tert-butylamine 5518.81
    n-dodecanol 505.21
    dimethoxymethane 3242.18
    ethylene carbonate 2157.38
    cyrene 1071.17
    2-ethoxyethyl acetate 2131.94
    2-ethylhexyl acetate 2479.81
    1,2,4-trichlorobenzene 2000.81
    4-methylpyridine 4976.74
    dibutyl ether 2664.63
    2,6-dimethyl-4-heptanol 969.36
    DEF 4725.66
    dimethyl isosorbide 2224.51
    tetrachloroethylene 3992.27
    eugenol 1017.72
    triacetin 1676.23
    span 80 1560.89
    1,4-butanediol 1096.27
    1,1-dichloroethane 6407.54
    2-methyl-1-pentanol 3089.64
    methyl formate 1670.2
    2-methyl-1-butanol 4487.52
    n-decane 256.81
    butyronitrile 5015.21
    3,7-dimethyl-1-octanol 1457.05
    1-chlorooctane 1093.05
    1-chlorotetradecane 333.95
    n-nonane 298.05
    undecane 167.57
    tert-butylcyclohexane 619.75
    cyclooctane 536.26
    cyclopentanol 5326.56
    tetrahydropyran 11184.3
    tert-amyl methyl ether 4384.04
    2,5,8-trioxanonane 2204.96
    1-hexene 5844.16
    2-isopropoxyethanol 2389.71
    2,2,2-trifluoroethanol 839.74
    methyl butyrate 3460.35

    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

Botanical

Name CAS Botanical Proportion
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 11.03%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 13.6%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 6.2%
Avocado leaf Persea gratissima Gaertner (P. americana Mill.), fam. Lauraceae 0.01%
Rue (China) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 22.03%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 2.43%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 16.71%
Ruta chalepensis (Greece) Ruta chalepensis L., fam. Rutaceae 44.0%