Benzyl acetate

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  • Identifiers

    CAS number
    140-11-4

    Molecular formula
    C9H10O2

    SMILES
    CC(=O)OCC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1163.0
    • Carbowax: 1714.14

  • Odor profile

    Fragrance
    Fruity 96.55%
    Sweet 91.75%
    Floral 86.08%
    Cherry 61.19%
    Balsamic 48.43%
    Jasmin 45.16%
    Fresh 41.72%
    Anisic 39.03%
    Powdery 36.55%
    Almond 36.14%

     

    Flavor
    Sweet 91.11%
    Fruity 88.84%
    Floral 74.27%
    Cherry 62.35%
    Bitter 61.35%
    Balsam 54.53%
    Plum 49.24%
    Almond 47.3%
    Banana 43.43%
    Fresh 40.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.07 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -60.7 °F (NTP, 1992)
    • -51 °C
    • -51.3 °C
    • -60.7 °F

    Boiling point

    • 419.9 °F at 760 mmHg (NTP, 1992)
    • 213 °C
    • Bp: 134 °C at 102 mm Hg
    • 212.00 to 215.00 °C. @ 760.00 mm Hg
    • 212 °C
    • 419.9 °F

    Flash point

    • 95.81 ˚C est.
    • 195 °F (NFPA, 2010)
    • 90 °C (closed cup)
    • 90 °C c.c.
    • 195 °F

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALCOHOL, ETHER
    • SOL IN BENZENE, CHLOROFORM
    • Miscible in ethanol, soluble in ethyl ether and acetone.
    • In water, 3.1 g/l.
    • 3.1 mg/mL at 25 °C
    • Solubility in water at 20 °C: none
    • very slightly soluble in water, glycerol; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • BENZYL ACETATE
    • 140-11-4
    • Acetic acid benzyl ester
    • Acetic acid, phenylmethyl ester
    • Benzyl ethanoate
    • Phenylmethyl acetate
    • Acetic acid, benzyl ester
    • Phenylmethyl ethanoate
    • alpha-Acetoxytoluene
    • (Acetoxymethyl)benzene
    • NCI-C06508
    • Benzylester kyseliny octove
    • Caswell No. 081EA
    • FEMA No. 2135
    • Benzyl acetate (natural)
    • NSC 4550
    • Acetic acid phenylmethyl ester
    • CCRIS 1423
    • HSDB 2851
    • Plastolin I
    • UNII-0ECG3V79ZJ
    • EINECS 205-399-7
    • 0ECG3V79ZJ
    • DTXSID0020151
    • CHEBI:52051
    • .alpha.-Acetoxytoluene
    • AI3-01996
    • NSC-4550
    • MFCD00008712
    • Benzyl ester of acetic acid
    • Benzyl-23456-d5 Acetate
    • DTXCID40151
    • EC 205-399-7
    • Benzyl acetate + glycine combination
    • BENZYL ACETATE (IARC)
    • BENZYL ACETATE [IARC]
    • CAS-140-11-4
    • Acetic acid-benzyl ester
    • Benzylester kyseliny octove [Czech]
    • ACETATO DE BENCILO
    • FEMA 2135
    • J0Z
    • nchem.167-comp5
    • Benzyl acetate (Standard)
    • Benzyl acetate, >=99%
    • BENZYL ACETATE [MI]
    • WLN: 1VO1R
    • SCHEMBL43745
    • BENZYL ACETATE [FCC]
    • BENZYL ACETATE [FHFI]
    • BENZYL ACETATE [HSDB]
    • BENZYL ACETATE [VANDF]
    • CHEMBL1233714
    • HY-N7124R
    • NSC4550
    • Benzyl acetate, analytical standard
    • HY-N7124
    • Tox21_201826
    • Tox21_302841
    • s5576
    • STL283809
    • Benzyl acetate, >=99%, FCC, FG
    • AKOS015841099
    • CCG-266204
    • CS-W018145
    • FB34683
    • NCGC00090779-01
    • NCGC00090779-02
    • NCGC00090779-03
    • NCGC00256379-01
    • NCGC00259375-01
    • LS-13613
    • A0022
    • Benzyl acetate, natural, >=99%, FCC, FG
    • E1501
    • NS00002107
    • Benzyl acetate, Selectophore(TM), >=99.5%
    • G75933
    • EN300-1267317
    • Q424223
    • Z19628364
    • Benzyl acetate, primary pharmaceutical reference standard
    • InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H
    • 205-399-7

  • Applications

    Benzyl acetate (CAS 140-11-4) is an acetate ester with a sweet, floral aroma, widely used in perfumery and fragrance as a primary odorant and a fixative, and as a fruit note in flavor applications for foods and beverages. It is also used in cosmetics and personal care as a fragrance ingredient, and appears in household products such as cleaners and air fresheners for fragrance and odor masking. In industrial contexts, benzyl acetate serves as a solvent and processing aid in coatings, varnishes, and printing inks. Additionally, it is used as an intermediate in the synthesis of fragrance and flavor compounds for industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 550.06
    methanol 617.71
    isopropanol 369.33
    water 7.37
    ethyl acetate 276.39
    n-propanol 328.5
    acetone 366.02
    n-butanol 248.4
    acetonitrile 468.98
    DMF 675.68
    toluene 89.2
    isobutanol 217.34
    1,4-dioxane 634.78
    methyl acetate 379.33
    THF 319.81
    2-butanone 295.14
    n-pentanol 181.8
    sec-butanol 281.9
    n-hexane 10.83
    ethylene glycol 201.44
    NMP 314.89
    cyclohexane 12.77
    DMSO 621.01
    n-butyl acetate 106.86
    n-octanol 76.33
    chloroform 822.44
    n-propyl acetate 129.63
    acetic acid 414.78
    dichloromethane 662.75
    cyclohexanone 246.94
    propylene glycol 276.53
    isopropyl acetate 121.45
    DMAc 654.79
    2-ethoxyethanol 326.15
    isopentanol 183.03
    n-heptane 8.79
    ethyl formate 183.99
    1,2-dichloroethane 314.26
    n-hexanol 129.93
    2-methoxyethanol 538.39
    isobutyl acetate 82.06
    tetrachloromethane 53.35
    n-pentyl acetate 63.73
    transcutol 851.4
    n-heptanol 60.69
    ethylbenzene 71.01
    MIBK 105.77
    2-propoxyethanol 237.05
    tert-butanol 364.93
    MTBE 190.96
    2-butoxyethanol 136.78
    propionic acid 325.96
    o-xylene 76.57
    formic acid 215.01
    diethyl ether 185.53
    m-xylene 62.8
    p-xylene 92.72
    chlorobenzene 142.18
    dimethyl carbonate 119.43
    n-octane 4.77
    formamide 345.7
    cyclopentanone 274.6
    2-pentanone 165.11
    anisole 217.22
    cyclopentyl methyl ether 129.78
    gamma-butyrolactone 356.32
    1-methoxy-2-propanol 324.79
    pyridine 381.41
    3-pentanone 144.39
    furfural 372.28
    n-dodecane 5.91
    diethylene glycol 248.98
    diisopropyl ether 38.88
    tert-amyl alcohol 270.55
    acetylacetone 207.98
    n-hexadecane 6.51
    acetophenone 171.07
    methyl propionate 221.76
    isopentyl acetate 98.8
    trichloroethylene 652.23
    n-nonanol 66.16
    cyclohexanol 154.34
    benzyl alcohol 176.82
    2-ethylhexanol 77.04
    isooctanol 51.9
    dipropyl ether 73.61
    1,2-dichlorobenzene 136.73
    ethyl lactate 92.48
    propylene carbonate 193.71
    n-methylformamide 354.89
    2-pentanol 143.92
    n-pentane 7.95
    1-propoxy-2-propanol 153.04
    1-methoxy-2-propyl acetate 132.07
    2-(2-methoxypropoxy) propanol 173.71
    mesitylene 38.86
    ε-caprolactone 210.79
    p-cymene 37.01
    epichlorohydrin 417.94
    1,1,1-trichloroethane 249.43
    2-aminoethanol 337.18
    morpholine-4-carbaldehyde 442.57
    sulfolane 346.94
    2,2,4-trimethylpentane 9.41
    2-methyltetrahydrofuran 239.89
    n-hexyl acetate 115.31
    isooctane 5.82
    2-(2-butoxyethoxy)ethanol 235.62
    sec-butyl acetate 89.96
    tert-butyl acetate 121.15
    decalin 14.76
    glycerin 292.61
    diglyme 405.02
    acrylic acid 288.14
    isopropyl myristate 49.89
    n-butyric acid 276.46
    acetyl acetate 161.61
    di(2-ethylhexyl) phthalate 57.22
    ethyl propionate 126.0
    nitromethane 637.36
    1,2-diethoxyethane 178.75
    benzonitrile 177.96
    trioctyl phosphate 36.96
    1-bromopropane 150.71
    gamma-valerolactone 403.25
    n-decanol 50.5
    triethyl phosphate 61.8
    4-methyl-2-pentanol 76.97
    propionitrile 281.29
    vinylene carbonate 218.01
    1,1,2-trichlorotrifluoroethane 344.31
    DMS 136.66
    cumene 52.09
    2-octanol 41.33
    2-hexanone 128.12
    octyl acetate 63.08
    limonene 48.19
    1,2-dimethoxyethane 435.81
    ethyl orthosilicate 58.44
    tributyl phosphate 50.02
    diacetone alcohol 189.52
    N,N-dimethylaniline 142.98
    acrylonitrile 352.82
    aniline 183.76
    1,3-propanediol 317.42
    bromobenzene 132.61
    dibromomethane 372.66
    1,1,2,2-tetrachloroethane 504.25
    2-methyl-cyclohexyl acetate 86.52
    tetrabutyl urea 69.03
    diisobutyl methanol 46.48
    2-phenylethanol 117.37
    styrene 97.73
    dioctyl adipate 81.89
    dimethyl sulfate 194.33
    ethyl butyrate 98.76
    methyl lactate 141.7
    butyl lactate 73.08
    diethyl carbonate 85.45
    propanediol butyl ether 165.76
    triethyl orthoformate 73.71
    p-tert-butyltoluene 35.27
    methyl 4-tert-butylbenzoate 126.7
    morpholine 607.93
    tert-butylamine 189.83
    n-dodecanol 39.75
    dimethoxymethane 272.84
    ethylene carbonate 167.38
    cyrene 150.85
    2-ethoxyethyl acetate 115.77
    2-ethylhexyl acetate 78.92
    1,2,4-trichlorobenzene 172.31
    4-methylpyridine 309.02
    dibutyl ether 77.0
    2,6-dimethyl-4-heptanol 46.48
    DEF 255.45
    dimethyl isosorbide 219.71
    tetrachloroethylene 295.31
    eugenol 138.0
    triacetin 153.91
    span 80 131.48
    1,4-butanediol 145.55
    1,1-dichloroethane 352.29
    2-methyl-1-pentanol 151.68
    methyl formate 253.51
    2-methyl-1-butanol 191.61
    n-decane 8.88
    butyronitrile 225.24
    3,7-dimethyl-1-octanol 73.7
    1-chlorooctane 40.73
    1-chlorotetradecane 18.5
    n-nonane 7.97
    undecane 7.05
    tert-butylcyclohexane 16.09
    cyclooctane 4.49
    cyclopentanol 155.91
    tetrahydropyran 289.34
    tert-amyl methyl ether 136.71
    2,5,8-trioxanonane 308.62
    1-hexene 64.68
    2-isopropoxyethanol 205.01
    2,2,2-trifluoroethanol 151.14
    methyl butyrate 167.97

    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
Alpinia chinensis (China) Alpinia chinensis Rosc., fam. Zingiberaceae 0.6%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.38%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.03%
Jasmine absolute 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 27.5%
Jasmine (Indonesia) 8022-96-6 Jasminum officinale var. grandiflorum L. (Red Flower), fam. Oleaceae 25.41%
Jasmine sambac (China) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 8.0%
Jasmine sambac (Indonesia) Jasminum sambac (L.) Aiton, fam. Oleaceae 4.26%
Jasmine sambac (Malati) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 3.0%
Jasmine sambac (Sampaquita) concrete Jasminum sambac (L.) Aiton (Sampaquita), fam. Oleaceae 2.0%
Jasmine, Living Flower Headspace 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 60.0%
Jasmine, Picked Flower Headspace 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 40.0%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.04%
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 4.0%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Narcissus tazetta absolute 3 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 1.47%
Pittosporum tobira flower headspace Pittosporum tobira Ait., fam. Pittosporaceae 1.2%
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 4.62%
Ylang Ylang (China) 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.05%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.31%
Jasmine absolute (India) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 8.1%
Jasmine oil (India) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 13.0%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.26%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.7%
Narcissus tazetta absolute 1 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 12.25%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 13.77%
Narcissus (Japan) 1b 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amaryllidaceae 43.54%
Jasmine absolute (Algeria) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 27.13%
Jasmine absolute (Egypt) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 26.25%
Jasmine absolute (France) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 22.09%
Jasmine absolute (Italy) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 26.84%
Jasmine oil (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 71.0%
Jasmine absolute (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 16.77%
Jasmine absolute (France) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 9.07%
Jasmine absolute (Italy) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 15.28%
Jasmine absolute (India) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 11.65%
Jasmine absolute (Morocco) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 14.12%
Jasmine absolute (Egypt) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 12.92%
Jasmine absolute (Egypt) 3 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 16.0%
Carrot seed (China) 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.03%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.09%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.08%
Rose (Kazanlik) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.1%
Jasmine (Egypt) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 29.12%
Jasmine absolute (Japan) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 18.82%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.39%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 1.0%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.01%