Hexyl Acetate

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  • Identifiers

    CAS number
    142-92-7

    Molecular formula
    C8H16O2

    SMILES
    CCCCCCOC(=O)C

    Safety labels

    Flammable
    Flammable

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1015.0
    • Carbowax: 1279.71

  • Odor profile

    Fruity 96.38%
    Green 82.88%
    Sweet 81.61%
    Banana 69.63%
    Apple 59.81%
    Pear 57.68%
    Fresh 53.64%
    Waxy 48.83%
    Ripe 45.83%
    Ethereal 45.18%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -112 °F (USCG, 1999)
    • -80.9 °C
    • -81 °C

    Boiling point

    • 334.4 to 338 °F at 760 mmHg (USCG, 1999)
    • 171.5 °C
    • 170.00 to 172.00 °C. @ 760.00 mm Hg

    Flash point est.
    53.47 ˚C

    Flash point expt.

    • 99 °F (USCG, 1999)
    • 45 °C
    • 113 °F (45 °C) (Closed cup)

    Solubility expt.

    • Very soluble in alcohol and ether
    • In water, 511 mg/L at 25 °C
    • 0.511 mg/mL at 25 °C
    • soluble in alcohol, ether; insoluble in water
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • Hexyl acetate
    • 142-92-7
    • n-Hexyl acetate
    • ACETIC ACID, HEXYL ESTER
    • Hexyl ethanoate
    • 1-Hexyl acetate
    • Acetic Acid Hexyl Ester
    • n-Hexyl ethanoate
    • Hexyl alcohol, acetate
    • l-Hexyl acetate
    • FEMA No. 2565
    • HSDB 5641
    • Hexylester kyseliny octove
    • Acetic acid n-hexyl ester
    • UNII-7U7KU3MWT0
    • Hexyl ester of acetic acid
    • NSC 7323
    • EINECS 205-572-7
    • BRN 1747138
    • DTXSID6022006
    • CHEBI:87510
    • AI3-28569
    • acidic acid hexyl ester
    • NSC-7323
    • MFCD00009524
    • Acetic acid, n-hexyl ester
    • HEXYL ACETATE [FCC]
    • 7U7KU3MWT0
    • EXCEED 600
    • HEXYL ACETATE [FHFI]
    • HEXYL ESTER ACETIC ACID
    • DTXCID602006
    • EC 205-572-7
    • 4-02-00-00159 (Beilstein Handbook Reference)
    • ACETIC ACID, HEXYL ESTER [HSDB]
    • Hexyl acetate (natural)
    • HEXYL ACETATE, (FLAMMABLE LIQUID LABEL)
    • HEXYL ACETATE, [FLAMMABLE LIQUID LABEL]
    • Hexylester kyseliny octove [Czech]
    • HEXYL ACETATE, (COMBUSTIBLE LIQUID LABEL)
    • HEXYL ACETATE, [COMBUSTIBLE LIQUID LABEL]
    • nHexyl acetate
    • nHexyl ethanoate
    • 1Hexyl acetate
    • Acetate C6
    • Hexyl acetate, 99%
    • Acetic acid-hexyl ester
    • N- HEXYL ACETATE
    • DSSTox_CID_2006
    • EC 421-230-1
    • DSSTox_RID_78665
    • DSSTox_GSID_29061
    • FEMA NUMBER 2565
    • SCHEMBL94650
    • HEXYL ACETATE [INCI]
    • WLN: 6OV1
    • CHEMBL2228454
    • FEMA 2565
    • NSC7323
    • Hexyl acetate, analytical standard
    • Tox21_200711
    • Tox21_301393
    • LMFA07010184
    • Hexyl acetate, >=98%, FCC, FG
    • AKOS015907932
    • NCGC00248805-01
    • NCGC00255245-01
    • NCGC00258265-01
    • CAS-142-92-7
    • FH175244
    • LS-13519
    • CAS-88230-35-7
    • A0032
    • Hexyl acetate, natural, >=98%, FCC, FG
    • NS00003895
    • A807984
    • Q418672
    • 205-572-7

  • Applications

    Hexyl acetate (CAS 142-92-7) is a mild apple-scented ester widely employed in the flavor industry to impart natural fruity notes to candies, beverages, baked goods, and soft drinks; in perfumery, cosmetics, soaps, detergents, and personal-care formulations to deliver a fresh fragrance; as a medium-volatility solvent in paints, inks, and varnishes to enhance flow, drying time, and gloss; in plastics and rubber processing as a light plasticizer and viscosity modifier; and in aroma analysis and scientific research as a reference compound or extraction solvent, meeting food and cosmetic safety standards when used at permitted levels.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5383.87
    methanol 6493.14
    isopropanol 4287.16
    water 1.17
    ethyl acetate 2637.66
    n-propanol 3454.34
    acetone 5685.56
    n-butanol 2871.94
    acetonitrile 2859.89
    DMF 4396.49
    toluene 783.95
    isobutanol 2488.76
    1,4-dioxane 3523.34
    methyl acetate 2015.31
    THF 5033.49
    2-butanone 2993.38
    n-pentanol 1785.85
    sec-butanol 2850.44
    n-hexane 723.15
    ethylene glycol 739.58
    NMP 3012.32
    cyclohexane 563.17
    DMSO 4919.08
    n-butyl acetate 1769.62
    n-octanol 679.04
    chloroform 4264.75
    n-propyl acetate 1342.69
    acetic acid 3690.09
    dichloromethane 3526.38
    cyclohexanone 3919.38
    propylene glycol 1235.96
    isopropyl acetate 1531.61
    DMAc 2464.45
    2-ethoxyethanol 1876.1
    isopentanol 2258.06
    n-heptane 202.92
    ethyl formate 1300.15
    1,2-dichloroethane 2410.47
    n-hexanol 1767.5
    2-methoxyethanol 3578.56
    isobutyl acetate 786.53
    tetrachloromethane 680.82
    n-pentyl acetate 934.45
    transcutol 5703.64
    n-heptanol 551.67
    ethylbenzene 446.15
    MIBK 1213.9
    2-propoxyethanol 2277.11
    tert-butanol 4302.49
    MTBE 2895.86
    2-butoxyethanol 1000.69
    propionic acid 2335.89
    o-xylene 485.89
    formic acid 938.17
    diethyl ether 2936.32
    m-xylene 572.7
    p-xylene 571.49
    chlorobenzene 1131.21
    dimethyl carbonate 415.15
    n-octane 73.81
    formamide 1115.01
    cyclopentanone 3681.53
    2-pentanone 2594.22
    anisole 876.98
    cyclopentyl methyl ether 2490.47
    gamma-butyrolactone 3243.04
    1-methoxy-2-propanol 2707.84
    pyridine 2510.93
    3-pentanone 1554.05
    furfural 2130.93
    n-dodecane 52.25
    diethylene glycol 1470.82
    diisopropyl ether 658.09
    tert-amyl alcohol 2881.67
    acetylacetone 2215.86
    n-hexadecane 59.35
    acetophenone 737.94
    methyl propionate 1562.36
    isopentyl acetate 1403.88
    trichloroethylene 3857.1
    n-nonanol 548.01
    cyclohexanol 2623.13
    benzyl alcohol 803.01
    2-ethylhexanol 937.42
    isooctanol 455.59
    dipropyl ether 1046.04
    1,2-dichlorobenzene 890.86
    ethyl lactate 483.93
    propylene carbonate 1463.98
    n-methylformamide 2035.09
    2-pentanol 1911.16
    n-pentane 407.56
    1-propoxy-2-propanol 1660.23
    1-methoxy-2-propyl acetate 1253.46
    2-(2-methoxypropoxy) propanol 954.46
    mesitylene 351.43
    ε-caprolactone 2667.2
    p-cymene 255.23
    epichlorohydrin 3227.08
    1,1,1-trichloroethane 2413.26
    2-aminoethanol 1711.42
    morpholine-4-carbaldehyde 2491.12
    sulfolane 3670.35
    2,2,4-trimethylpentane 151.52
    2-methyltetrahydrofuran 4124.74
    n-hexyl acetate 1358.66
    isooctane 115.26
    2-(2-butoxyethoxy)ethanol 1449.3
    sec-butyl acetate 882.52
    tert-butyl acetate 1563.76
    decalin 233.13
    glycerin 1238.47
    diglyme 2221.48
    acrylic acid 1657.76
    isopropyl myristate 409.71
    n-butyric acid 3327.14
    acetyl acetate 1208.91
    di(2-ethylhexyl) phthalate 384.15
    ethyl propionate 1067.99
    nitromethane 4088.58
    1,2-diethoxyethane 1753.62
    benzonitrile 1164.1
    trioctyl phosphate 278.94
    1-bromopropane 1931.33
    gamma-valerolactone 3716.43
    n-decanol 371.97
    triethyl phosphate 339.81
    4-methyl-2-pentanol 826.9
    propionitrile 2073.69
    vinylene carbonate 1249.2
    1,1,2-trichlorotrifluoroethane 2313.92
    DMS 785.93
    cumene 298.41
    2-octanol 441.09
    2-hexanone 1652.63
    octyl acetate 527.11
    limonene 495.9
    1,2-dimethoxyethane 2964.61
    ethyl orthosilicate 358.69
    tributyl phosphate 401.2
    diacetone alcohol 1677.88
    N,N-dimethylaniline 568.06
    acrylonitrile 2169.41
    aniline 1286.67
    1,3-propanediol 2094.46
    bromobenzene 1209.86
    dibromomethane 2737.46
    1,1,2,2-tetrachloroethane 3451.77
    2-methyl-cyclohexyl acetate 689.68
    tetrabutyl urea 492.89
    diisobutyl methanol 438.4
    2-phenylethanol 789.53
    styrene 617.4
    dioctyl adipate 630.05
    dimethyl sulfate 749.69
    ethyl butyrate 936.75
    methyl lactate 728.83
    butyl lactate 730.89
    diethyl carbonate 509.41
    propanediol butyl ether 1194.39
    triethyl orthoformate 588.69
    p-tert-butyltoluene 262.37
    methyl 4-tert-butylbenzoate 646.69
    morpholine 4870.69
    tert-butylamine 2617.61
    n-dodecanol 269.57
    dimethoxymethane 1676.78
    ethylene carbonate 1129.51
    cyrene 698.41
    2-ethoxyethyl acetate 1107.33
    2-ethylhexyl acetate 1018.52
    1,2,4-trichlorobenzene 1044.36
    4-methylpyridine 2496.12
    dibutyl ether 1048.36
    2,6-dimethyl-4-heptanol 438.4
    DEF 2504.16
    dimethyl isosorbide 1345.75
    tetrachloroethylene 2266.63
    eugenol 660.6
    triacetin 992.24
    span 80 985.56
    1,4-butanediol 792.39
    1,1-dichloroethane 2982.19
    2-methyl-1-pentanol 1480.37
    methyl formate 1209.68
    2-methyl-1-butanol 2060.84
    n-decane 98.23
    butyronitrile 2406.23
    3,7-dimethyl-1-octanol 707.15
    1-chlorooctane 443.12
    1-chlorotetradecane 145.5
    n-nonane 108.57
    undecane 68.09
    tert-butylcyclohexane 231.05
    cyclooctane 135.34
    cyclopentanol 2712.23
    tetrahydropyran 4667.1
    tert-amyl methyl ether 1704.83
    2,5,8-trioxanonane 1423.97
    1-hexene 1901.28
    2-isopropoxyethanol 1328.54
    2,2,2-trifluoroethanol 763.76
    methyl butyrate 1613.06

    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
Bergamot (China) 5 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Bergamot (China) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.02%
Bergamot (China) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.16%
Bergamot (China) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.11%
Roman chamomile (Italy) 1 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 5.0%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Olibanum, Frankincense (Eritrea) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.25%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Spike lavender (Spain) 2 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.05%
Rosa chinensis (headspace), China Rosa chinensis Jacq., fam. Rosaceae 3.95%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 1.1%
Olibanum, Frankincense (Somalia) 1 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.1%
Olibanum, Frankincense (Egypt) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.13%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.55%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 0.01%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 6.94%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.3%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.5%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 1.59%
Valerian, Picked Flowers Valeriana officinalis L., fam. Valerianaceae 0.36%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 1.87%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.23%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.01%
Orange, sweet (USA) (hydrocarbon-free) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.06%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.17%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.24%
Chaenomeles speciosa (Flowering Quince) Chaenameles speciosa Nakai, fam. Rosaceae 0.21%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.03%
Guava fruit headspace (China) 91770-12-6 Psidium guajava L., fam. Myrtaceae 1.32%
Ylang Ylang 5a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.22%
Ylang Ylang 5c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.01%
Lavender (Italy) 1a 8000-28-0 Lavandula angustifolia Mill. (L. officnalis Chaix), fam. Lamiaceae 0.15%
Lavender (Italy) 1b 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.15%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.17%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.1%
Bergamot (Italy) 4 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Lavender (Lithuania) 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 1.96%
Olive flower (headspace) Olea europaea L., fam. Oleaceae 1.2%
Narcissus tazetta (var. chinensis) headspace 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amarillidaceae 0.07%
Neroli bigarade (bitter orange flower) Spain 3 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.03%
Neroli bigarade (bitter orange flower) Tunisia 2 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.05%
Neroli bigarade (bitter orange flower) Morocco 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.04%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.01%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.02%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 1.0%
Myrtle flower (Albania) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.34%