Octyl Acetate

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  • Identifiers

    CAS number
    112-14-1

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCCCOC(=O)C

    Retention indicies (RI)

    • DB5: 1215.0
    • Carbowax: 1469.0

  • Odor profile

    Fruity 86.19%
    Green 75.38%
    Floral 74.38%
    Waxy 74.36%
    Sweet 67.5%
    Citrus 62.65%
    Fresh 62.26%
    Fatty 62.25%
    Herbal 62.1%
    Rose 57.52%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -38.5 °C

    Boiling point

    • 206.00 to 211.00 °C. @ 760.00 mm Hg

    Flash point est.
    81.75 ˚C

    Solubility expt.

    • miscible with alcohol, most fixed oils, organic solvents; insoluble in water
    • 1 ml in 4 ml 70% alcohol (in ethanol)

  • Synonyms

    • Octyl acetate
    • 112-14-1
    • n-Octyl acetate
    • Acetic acid octyl ester
    • Acetic acid, octyl ester
    • Caprylyl acetate
    • 1-Octyl acetate
    • Octyl ethanoate
    • n-Octanyl acetate
    • n-Octyl ethanoate
    • 1-Octanol acetate
    • Acetate C-8
    • Octyl alcohol acetate
    • Octyl acetate, normal
    • Acetic acid n-octyl ester
    • Octyl acetate (natural)
    • FEMA No. 2806
    • NSC 67348
    • EINECS 203-939-6
    • UNII-X0FN2J413S
    • BRN 1754554
    • X0FN2J413S
    • DTXSID8044202
    • CHEBI:87495
    • AI3-11269
    • NSC-67348
    • OCTYL ACETATE [FCC]
    • OCTYL ACETATE [FHFI]
    • DTXCID6024202
    • FEMA 2806
    • octanol acetate
    • 4-02-00-00165 (Beilstein Handbook Reference)
    • MFCD00009562
    • octylacetate
    • nOctyl acetate
    • 1-acetoxyoctane
    • nOctanyl acetate
    • nOctyl ethanoate
    • 1Octyl acetate
    • 1Octanol acetate
    • Octyl acetic acid
    • Acetate C8
    • Ethyl hexyl acetate
    • Octyl ethanoic acid
    • Caprylyl acetic acid
    • Octyl acetate (van)
    • N-Octanyl acetic acid
    • Octyl acetate (Standard)
    • Octyl acetate, >=99%
    • SCHEMBL1500
    • NCIOpen2_000238
    • WLN: 8OV1
    • CHEMBL2228456
    • HY-N0308R
    • Octyl acetate, analytical standard
    • HY-N0308
    • NSC67348
    • Tox21_302296
    • BBL027760
    • LMFA07010197
    • s2999
    • STL373498
    • Octyl acetate, >=98%, FCC, FG
    • AKOS015915408
    • NCGC00255907-01
    • CAS-112-14-1
    • DA-56381
    • VS-08590
    • A0042
    • CS-0008806
    • NS00013089
    • Octyl acetate, natural, >=98%, FCC, FG
    • E80795
    • A802497
    • Q2173897
    • Z762364710
    • 203-939-6

  • Applications

    Octyl acetate (CAS 112-14-1) is a pear-like, citrus-fruity ester widely employed as a flavoring agent in soft drinks, candies, baked goods, chewing gum, yogurts and veterinary formulations, and as a key note in compounded citrus oils for fine fragrances, room sprays and household cleaners; in inks, paints and varnishes it serves as a high-evaporation solvent for nitrocellulose, acrylic, epoxy and alkyd resins, delivering fast-drying, glossy and flexible films; thanks to its good lubricity it is blended into metalworking fluids, textile machine oils and spinneret lubricants to minimize friction; the compound is also utilized as a carrier in pesticide concentrates, a mild plasticizer for PVC and polyurethane, a blowing-agent additive in polymer foams, a co-solvent in gas chromatography, an extraction medium for natural essential oils, and an aroma ingredient in personal-care cosmetics.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7856.46
    methanol 8581.02
    isopropanol 6673.97
    water 0.19
    ethyl acetate 4572.45
    n-propanol 5566.93
    acetone 10254.85
    n-butanol 4415.48
    acetonitrile 4742.34
    DMF 5439.29
    toluene 1489.79
    isobutanol 3926.39
    1,4-dioxane 5491.3
    methyl acetate 3343.76
    THF 7861.46
    2-butanone 5683.28
    n-pentanol 3011.0
    sec-butanol 4749.91
    n-hexane 1782.51
    ethylene glycol 567.32
    NMP 3331.45
    cyclohexane 1340.76
    DMSO 7382.97
    n-butyl acetate 3315.3
    n-octanol 947.24
    chloroform 6790.66
    n-propyl acetate 3043.27
    acetic acid 3567.35
    dichloromethane 5980.67
    cyclohexanone 6833.07
    propylene glycol 1213.64
    isopropyl acetate 2922.8
    DMAc 2976.45
    2-ethoxyethanol 2952.2
    isopentanol 3612.49
    n-heptane 428.45
    ethyl formate 2057.32
    1,2-dichloroethane 4189.4
    n-hexanol 2717.44
    2-methoxyethanol 4917.1
    isobutyl acetate 1584.92
    tetrachloromethane 1110.73
    n-pentyl acetate 1702.61
    transcutol 7610.84
    n-heptanol 845.15
    ethylbenzene 817.7
    MIBK 2221.02
    2-propoxyethanol 3164.89
    tert-butanol 6843.42
    MTBE 5647.66
    2-butoxyethanol 1500.34
    propionic acid 2924.36
    o-xylene 807.53
    formic acid 679.67
    diethyl ether 6479.14
    m-xylene 933.51
    p-xylene 1033.99
    chlorobenzene 1807.9
    dimethyl carbonate 536.25
    n-octane 136.24
    formamide 1035.39
    cyclopentanone 5638.35
    2-pentanone 4848.64
    anisole 1410.83
    cyclopentyl methyl ether 4427.05
    gamma-butyrolactone 4563.37
    1-methoxy-2-propanol 3772.29
    pyridine 4402.74
    3-pentanone 2791.15
    furfural 2805.03
    n-dodecane 77.5
    diethylene glycol 1612.73
    diisopropyl ether 1326.77
    tert-amyl alcohol 4732.81
    acetylacetone 3451.99
    n-hexadecane 91.59
    acetophenone 1155.07
    methyl propionate 2623.04
    isopentyl acetate 2546.62
    trichloroethylene 6014.93
    n-nonanol 767.82
    cyclohexanol 4082.75
    benzyl alcohol 1202.08
    2-ethylhexanol 1582.89
    isooctanol 730.07
    dipropyl ether 2362.35
    1,2-dichlorobenzene 1392.9
    ethyl lactate 780.84
    propylene carbonate 2020.97
    n-methylformamide 2568.46
    2-pentanol 3180.21
    n-pentane 818.85
    1-propoxy-2-propanol 2645.77
    1-methoxy-2-propyl acetate 2077.57
    2-(2-methoxypropoxy) propanol 1223.48
    mesitylene 585.76
    ε-caprolactone 4313.96
    p-cymene 418.44
    epichlorohydrin 4897.65
    1,1,1-trichloroethane 4146.04
    2-aminoethanol 1792.98
    morpholine-4-carbaldehyde 3211.65
    sulfolane 4833.38
    2,2,4-trimethylpentane 239.23
    2-methyltetrahydrofuran 7102.4
    n-hexyl acetate 2158.46
    isooctane 188.57
    2-(2-butoxyethoxy)ethanol 1897.52
    sec-butyl acetate 1822.33
    tert-butyl acetate 2748.09
    decalin 445.62
    glycerin 1086.89
    diglyme 3292.88
    acrylic acid 1722.81
    isopropyl myristate 617.67
    n-butyric acid 4725.63
    acetyl acetate 1795.95
    di(2-ethylhexyl) phthalate 493.42
    ethyl propionate 2207.32
    nitromethane 4970.28
    1,2-diethoxyethane 3215.59
    benzonitrile 1774.33
    trioctyl phosphate 379.77
    1-bromopropane 3894.28
    gamma-valerolactone 5603.93
    n-decanol 503.26
    triethyl phosphate 545.55
    4-methyl-2-pentanol 1318.5
    propionitrile 3537.07
    vinylene carbonate 1713.56
    1,1,2-trichlorotrifluoroethane 3170.87
    DMS 1079.29
    cumene 501.95
    2-octanol 706.27
    2-hexanone 3425.97
    octyl acetate 757.18
    limonene 865.82
    1,2-dimethoxyethane 5284.3
    ethyl orthosilicate 580.04
    tributyl phosphate 556.91
    diacetone alcohol 2488.3
    N,N-dimethylaniline 847.52
    acrylonitrile 3348.49
    aniline 2036.43
    1,3-propanediol 2491.51
    bromobenzene 2039.12
    dibromomethane 4778.77
    1,1,2,2-tetrachloroethane 5426.81
    2-methyl-cyclohexyl acetate 1138.72
    tetrabutyl urea 696.86
    diisobutyl methanol 742.97
    2-phenylethanol 1134.08
    styrene 1177.48
    dioctyl adipate 910.96
    dimethyl sulfate 888.45
    ethyl butyrate 1902.17
    methyl lactate 898.74
    butyl lactate 1104.49
    diethyl carbonate 908.05
    propanediol butyl ether 1471.74
    triethyl orthoformate 1085.37
    p-tert-butyltoluene 415.31
    methyl 4-tert-butylbenzoate 879.29
    morpholine 8239.26
    tert-butylamine 4254.76
    n-dodecanol 357.99
    dimethoxymethane 2698.24
    ethylene carbonate 1681.1
    cyrene 871.19
    2-ethoxyethyl acetate 1799.42
    2-ethylhexyl acetate 1891.36
    1,2,4-trichlorobenzene 1584.24
    4-methylpyridine 4172.45
    dibutyl ether 2081.82
    2,6-dimethyl-4-heptanol 742.97
    DEF 4121.03
    dimethyl isosorbide 1754.68
    tetrachloroethylene 3526.8
    eugenol 851.42
    triacetin 1402.52
    span 80 1270.35
    1,4-butanediol 934.36
    1,1-dichloroethane 5395.34
    2-methyl-1-pentanol 2402.88
    methyl formate 1426.95
    2-methyl-1-butanol 3299.97
    n-decane 167.97
    butyronitrile 4075.28
    3,7-dimethyl-1-octanol 1016.92
    1-chlorooctane 735.54
    1-chlorotetradecane 220.59
    n-nonane 191.14
    undecane 107.13
    tert-butylcyclohexane 402.61
    cyclooctane 310.72
    cyclopentanol 4087.23
    tetrahydropyran 9152.76
    tert-amyl methyl ether 3183.12
    2,5,8-trioxanonane 1917.06
    1-hexene 4363.8
    2-isopropoxyethanol 2181.77
    2,2,2-trifluoroethanol 676.21
    methyl butyrate 3321.22

    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
Lemon (Spain) 7 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Grapefruit (Israel) 2 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.03%
Grapefruit (Israel) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.04%
Lemon (Israel) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Olibanum, Frankincense (Aden) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 1.5%
Olibanum, Frankincense (Eritrea) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 52.0%
Orange, sweet (USA-Florida) 4 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Lime (Mexican, West Indian, Key) (Brazil) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Lemon (Argentina) 1 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.03%
Grapefruit (Italy) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.02%
Lemon (USA) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Orange, sweet (USA-Florida) 6 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.01%
Ziziphora clinopodioides (Turkey) 2 Ziziphora clinopodioides Lam., fam. Lamiaceae (Labiatae) 0.44%
Rue (Malaysia) 2 8014-29-7 Ruta angustifolia Pers., fam. Rutaceae 0.09%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.5%
Schinus latifolius Schinus latifolius Engl., fam. Anarcadiaceae 0.1%
Orange, sweet (Brazil) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Pera, fam. Rutaceae 0.02%
Orange, sweet (Brazil) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Hamlin, fam. Rutaceae 0.02%
Orange, sweet (Brazil) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Peralima, fam. Rutaceae 0.03%
Orange, sweet, deterpenized 8008-57-9 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.4%
Basil (Israel) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.05%
Tangerine (Brazil) 3 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.01%
Mandarin (Argentina) 1 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.02%
Olibanum, Frankincense (Somalia) 1 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 60.0%
Olibanum, Frankincense (Egypt) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 50.0%
Lemon (Brazil) 1 84929-31-7 Citrus limon (L.) Burm. f., cultivar Sicilian, fam. Rutaceae 0.02%
Lemon (Brazil) 2 84929-31-7 Citrus limon (L.) Burm. f., cultivar Eureka, fam. Rutaceae 0.05%
Lemon (Japan) 1 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.08%
Grapefruit (Brazil) 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.04%
Grapefruit (Argentina) 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Orange, bitter (Brazil) 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.03%
Mandarin (Argentina) 2 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Mandarin (Brazil) 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.02%
Orange, sweet (Japan) (oxygenated compounds) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Fukuhara, fam. Rutaceae 0.8%
Orange, sweet (Argentina) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Lemon (Argentina) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.03%
Micromeria myrtifolia (Turkey) Micromeria myrtifolia Boiss. et Hohen, fam. Lamiaceae (Labiatae) 0.05%
Litsea zeylanica Litsea zeylanica Nees, fam. Lauraceae 0.32%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.62%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.1%
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 0.04%
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.11%
Daylily, Headspace Living Flower 1 Hemerocallis minor hybrid, fam. Liliaceae 0.09%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 1.73%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 0.01%
Lemon leaf (petitgrain) (Italy) 1 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon leaf (petitgrain) (Italy) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.04%