Decyl acetate

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  • Identifiers

    CAS number
    112-17-4

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCCCCOC(=O)C

    Retention indicies (RI)

    • DB5: 1413.83
    • Carbowax: 1674.0

  • Odor profile

    Fruity 77.7%
    Waxy 74.66%
    Floral 66.59%
    Citrus 63.55%
    Fatty 63.5%
    Rose 62.19%
    Sweet 61.07%
    Fresh 58.44%
    Orange 51.61%
    Oily 49.77%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.0 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • -15 °C

    Boiling point

    • 126.00 to 127.00 °C. @ 20.00 mm Hg

    Flash point est.
    103.28 ˚C

    Solubility expt.

    • insoluble in water
    • 1 ml in 2 ml 80% alcohol (in ethanol)

  • Synonyms

    • DECYL ACETATE
    • 112-17-4
    • n-Decyl acetate
    • Acetic acid, decyl ester
    • n-Decyl ethanoate
    • 1-Decanol acetate
    • Decyl ethanoate
    • Acetate C 10
    • Decanyl acetate
    • 1-Decyl acetate
    • Acetate C-10
    • Decanol acetate
    • Decyl alcohol, acetate
    • FEMA No. 2367
    • Acetic Acid Decyl Ester
    • UNII-VNW56K9DYT
    • VNW56K9DYT
    • Decyl ester of acetic acid
    • EINECS 203-942-2
    • NSC 46131
    • DECYLACETATE
    • Decyl alcohol, acetate (6CI)
    • DTXSID8047189
    • AI3-11098
    • NSC-46131
    • Acetic acid, n-decyl ester
    • DECYL ACETATE [FHFI]
    • DTXCID6027189
    • FEMA 2367
    • MFCD00026538
    • nDecyl acetate
    • nDecyl ethanoate
    • 1Decyl acetate
    • 1Decanol acetate
    • Decyl acetic acid
    • 1- DECANOL ACETATE
    • SCHEMBL155855
    • CHEMBL2228458
    • n-Decyl acetate, >=95%, FG
    • CHEBI:179750
    • NSC46131
    • Tox21_302572
    • LMFA07010212
    • AKOS015899806
    • CS-W015601
    • HY-W014885
    • NCGC00256820-01
    • AS-56493
    • CAS-112-17-4
    • A1366
    • NS00012201
    • D88427
    • Q27291927
    • 203-942-2

  • Applications

    n-Decyl acetate (CAS 112-17-4) is a straight-chain ester with a soft fruity note that is widely employed as an apple-pear flavour and fragrant ingredient in fine perfumery, confectionery, baked goods and beverages; it also serves as a low-odour solvent for printing inks, nail lacquers, varnishes and flexographic formulations. In pharmaceutical and cosmetic preparations it enhances aroma diffusion, lowers cream viscosity and imparts a dry, non-greasy skin feel. Industrially it is used as an intermediate for surface-active agents, bio-based plasticisers, metal anticorrosion additives, environmentally friendly ester cleaners, foam-control agents and wood-polishing solutions, benefiting from its moderate volatility, low toxicity and good biodegradability.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3144.09
    methanol 2901.52
    isopropanol 3151.65
    water 0.03
    ethyl acetate 3219.38
    n-propanol 2770.66
    acetone 5125.01
    n-butanol 2342.58
    acetonitrile 2235.34
    DMF 2894.9
    toluene 1169.21
    isobutanol 2111.83
    1,4-dioxane 3630.51
    methyl acetate 2145.8
    THF 5913.13
    2-butanone 3670.99
    n-pentanol 1818.88
    sec-butanol 2679.63
    n-hexane 1515.87
    ethylene glycol 157.15
    NMP 2322.26
    cyclohexane 1421.45
    DMSO 3993.27
    n-butyl acetate 2694.78
    n-octanol 683.52
    chloroform 5074.38
    n-propyl acetate 2584.98
    acetic acid 1335.59
    dichloromethane 4722.09
    cyclohexanone 5259.87
    propylene glycol 440.81
    isopropyl acetate 2299.1
    DMAc 2063.58
    2-ethoxyethanol 1868.32
    isopentanol 2222.36
    n-heptane 451.97
    ethyl formate 1277.11
    1,2-dichloroethane 3499.94
    n-hexanol 1709.02
    2-methoxyethanol 2620.02
    isobutyl acetate 1439.96
    tetrachloromethane 936.29
    n-pentyl acetate 1539.22
    transcutol 5104.84
    n-heptanol 630.57
    ethylbenzene 705.09
    MIBK 1864.83
    2-propoxyethanol 2045.39
    tert-butanol 3968.81
    MTBE 4287.31
    2-butoxyethanol 1119.2
    propionic acid 1405.97
    o-xylene 707.12
    formic acid 212.94
    diethyl ether 4617.46
    m-xylene 765.07
    p-xylene 914.11
    chlorobenzene 1474.23
    dimethyl carbonate 360.38
    n-octane 137.3
    formamide 374.14
    cyclopentanone 4181.1
    2-pentanone 3367.88
    anisole 1155.69
    cyclopentyl methyl ether 3695.66
    gamma-butyrolactone 3267.77
    1-methoxy-2-propanol 2336.52
    pyridine 3185.39
    3-pentanone 2023.13
    furfural 2114.5
    n-dodecane 69.91
    diethylene glycol 849.91
    diisopropyl ether 1158.37
    tert-amyl alcohol 2975.95
    acetylacetone 2451.25
    n-hexadecane 85.4
    acetophenone 1014.2
    methyl propionate 1825.79
    isopentyl acetate 2194.21
    trichloroethylene 4680.92
    n-nonanol 576.69
    cyclohexanol 2788.92
    benzyl alcohol 861.84
    2-ethylhexanol 1232.31
    isooctanol 592.38
    dipropyl ether 2223.26
    1,2-dichlorobenzene 1269.34
    ethyl lactate 624.91
    propylene carbonate 1598.7
    n-methylformamide 1205.23
    2-pentanol 1971.16
    n-pentane 638.63
    1-propoxy-2-propanol 1925.58
    1-methoxy-2-propyl acetate 1718.3
    2-(2-methoxypropoxy) propanol 930.39
    mesitylene 533.63
    ε-caprolactone 3456.44
    p-cymene 406.35
    epichlorohydrin 3783.82
    1,1,1-trichloroethane 3579.96
    2-aminoethanol 647.54
    morpholine-4-carbaldehyde 2264.7
    sulfolane 3647.9
    2,2,4-trimethylpentane 215.22
    2-methyltetrahydrofuran 5655.68
    n-hexyl acetate 1842.91
    isooctane 167.85
    2-(2-butoxyethoxy)ethanol 1369.71
    sec-butyl acetate 1715.09
    tert-butyl acetate 2366.92
    decalin 453.19
    glycerin 441.28
    diglyme 2572.43
    acrylic acid 759.24
    isopropyl myristate 569.26
    n-butyric acid 2841.63
    acetyl acetate 1309.01
    di(2-ethylhexyl) phthalate 410.66
    ethyl propionate 1970.59
    nitromethane 2385.13
    1,2-diethoxyethane 2702.09
    benzonitrile 1293.38
    trioctyl phosphate 326.74
    1-bromopropane 3295.55
    gamma-valerolactone 4273.5
    n-decanol 375.99
    triethyl phosphate 550.35
    4-methyl-2-pentanol 976.12
    propionitrile 2131.47
    vinylene carbonate 1241.65
    1,1,2-trichlorotrifluoroethane 2166.88
    DMS 890.6
    cumene 457.35
    2-octanol 549.05
    2-hexanone 2739.9
    octyl acetate 663.86
    limonene 843.42
    1,2-dimethoxyethane 3918.88
    ethyl orthosilicate 576.73
    tributyl phosphate 475.98
    diacetone alcohol 1852.56
    N,N-dimethylaniline 734.38
    acrylonitrile 1823.6
    aniline 1313.24
    1,3-propanediol 1104.09
    bromobenzene 1744.7
    dibromomethane 3816.65
    1,1,2,2-tetrachloroethane 4480.73
    2-methyl-cyclohexyl acetate 1120.28
    tetrabutyl urea 598.61
    diisobutyl methanol 660.15
    2-phenylethanol 833.76
    styrene 961.97
    dioctyl adipate 822.78
    dimethyl sulfate 609.55
    ethyl butyrate 1803.24
    methyl lactate 551.85
    butyl lactate 914.16
    diethyl carbonate 880.03
    propanediol butyl ether 918.08
    triethyl orthoformate 1099.87
    p-tert-butyltoluene 391.62
    methyl 4-tert-butylbenzoate 777.78
    morpholine 5638.98
    tert-butylamine 2629.62
    n-dodecanol 270.89
    dimethoxymethane 1830.73
    ethylene carbonate 1288.0
    cyrene 705.98
    2-ethoxyethyl acetate 1524.33
    2-ethylhexyl acetate 1726.73
    1,2,4-trichlorobenzene 1398.48
    4-methylpyridine 2932.48
    dibutyl ether 1861.28
    2,6-dimethyl-4-heptanol 660.15
    DEF 2981.35
    dimethyl isosorbide 1543.04
    tetrachloroethylene 2869.85
    eugenol 675.46
    triacetin 1204.19
    span 80 989.42
    1,4-butanediol 440.29
    1,1-dichloroethane 4116.74
    2-methyl-1-pentanol 1570.51
    methyl formate 665.65
    2-methyl-1-butanol 2001.69
    n-decane 163.47
    butyronitrile 2584.14
    3,7-dimethyl-1-octanol 777.66
    1-chlorooctane 683.29
    1-chlorotetradecane 203.85
    n-nonane 183.94
    undecane 100.02
    tert-butylcyclohexane 376.63
    cyclooctane 346.22
    cyclopentanol 2675.41
    tetrahydropyran 7163.71
    tert-amyl methyl ether 2634.14
    2,5,8-trioxanonane 1503.07
    1-hexene 3419.62
    2-isopropoxyethanol 1566.24
    2,2,2-trifluoroethanol 302.21
    methyl butyrate 2789.16

    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
Ambrette seed 1 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 3.38%
Ambrette seed absolute 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 7.0%
Bergamot (China) 5 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.11%
Bergamot (China) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.12%
Bergamot (China) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.05%
Bergamot (China) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.05%
Bergamot (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.02%
Lemon (Spain) 7 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Cardamom (Costa Rica) 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.01%
Grapefruit (Israel) 2 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.09%
Grapefruit (Israel) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.11%
Lemon (Italy-Sicily) 7 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Israel) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Satsuma mandarin peel 1 Citrus unshiu Marcovitch, fam. Rutaceae 0.01%
Orange, sweet (Israel) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.03%
Orange, sweet (Israel) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Shamouti, fam. Rutaceae 0.03%
Orange, sweet (Italy) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.01%
Orange, sweet (Spain) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.01%
Lemon (USA-California) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 8 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Schinus latifolius Schinus latifolius Engl., fam. Anarcadiaceae 0.1%
Olibanum, Frankincense (Somalia) 1 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.3%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.23%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.08%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.4%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.2%
Grapefruit (Georgia-USSR) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.23%
Ambrette seed 2 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 5.6%
Ambrette seed 4 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 1.8%
Ambrette seed 3 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 4.2%
Orange, sweet (Italy) 5 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Orange, bitter (Italy) 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.03%
Grapefruit (Italy) 2 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Mentha haplocalyx (China) Mentha haplocalyx Briq., fam. Lamiaceae (Labiatae) 0.1%
Polygonum odoratum Polygonum odoratum L., fam. Polygonaceae 1.3%
Mandarin 3 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Naoshichi (Japan) Citrus taguma-sudachi Hort. ex Tanaka, fam. Rutaceae 0.02%
Salvia canariensis (Spain) Salvia canariensis L., fam. Lamiaceae (Labiatae) 0.1%
Tagetes (USA) 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.08%
Bergamot leaf (China) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.03%
Bergamot (China) 6 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.02%
Bergamot (Italy) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.03%
Lemon (Italy-Sicily) 11 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Uruguay) 8a 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Uruguay) 8b 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.05%
Clementine x Lemon (Italy) 2 Citrus clementina Hort. ex Tan. x Citrus limon (L.) Burm., fam. Rutaceae 0.04%
Lemon (Italy-Sicily) 12a Femminello 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello, fam. Rutaceae 0.02%
Lemon (Italy-Sicily) 12b Lo Porto 84929-31-7 Citrus limon (L.) Burm. f., cultivar Lo Porto, fam. Rutaceae 0.03%