Phenethyl acetate

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  • Identifiers

    CAS number
    103-45-7

    Molecular formula
    C10H12O2

    SMILES
    CC(=O)OCCC1=CC=CC=C1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1257.0
    • Carbowax: 1827.25

  • Odor profile

    Floral 90.55%
    Sweet 86.71%
    Fruity 82.91%
    Rose 68.0%
    Balsamic 63.39%
    Honey 59.84%
    Hyacinth 50.76%
    Green 47.36%
    Spicy 44.41%
    Jasmin 40.15%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -31.1 °C

    Boiling point

    • 238.00 to 239.00 °C. @ 760.00 mm Hg

    Flash point est.
    107.33 ˚C

    Solubility expt.

    • Insoluble in water; soluble in oils, propylene glycol
    • 1 mL in 2 mL 70% ethanol (in ethanol)

  • Synonyms

    • Phenethyl acetate
    • 2-Phenylethyl acetate
    • 103-45-7
    • 2-Phenethyl acetate
    • Acetic acid, 2-phenylethyl ester
    • Benzylcarbinyl acetate
    • beta-Phenylethyl acetate
    • Acetic acid, phenethyl ester
    • Acetic Acid Phenethyl Ester
    • Phenethyl alcohol, acetate
    • Phenylethyl acetate
    • Ethanol, 2-phenyl-, acetate
    • phenethylacetate
    • beta-Phenethyl acetate
    • FEMA No. 2857
    • Phenethyl acetate (natural)
    • NSC 71927
    • EINECS 203-113-5
    • BRN 0638179
    • DTXSID7044506
    • CHEBI:31988
    • AI3-03878
    • Acetic acid beta-phenylethyl ester
    • .beta.-Phenethyl acetate
    • NSC-71927
    • .beta.-Phenylethyl acetate
    • Phenylethyl acetate-.beta.
    • PHENETHYL ACETATE [FCC]
    • 67733846OW
    • DTXCID5024506
    • PHENETHYL ACETATE [FHFI]
    • EC 203-113-5
    • 2-Phenyl ethyl acetate
    • Acetic Acid 2-Phenylethyl Ester
    • FEMA 2857
    • 2Phenethyl acetate
    • UNII-67733846OW
    • 2-phenylethyl ester
    • 2phenylethyl acetate
    • betaPhenethyl acetate
    • MFCD00008720
    • betaphenylethyl acetate
    • beta -phenethyl acetate
    • Phenylethyl acetate-beta
    • beta -phenylethyl acetate
    • Ethanol, 2phenyl, acetate
    • 2-Phenethyl acetate, 99%
    • NCIOpen2_000347
    • WLN: 1VO2R
    • .beta.-Phenylethanol acetate
    • 2-Phenylethyl acetate, 9CI
    • SCHEMBL111422
    • SCHEMBL8509205
    • Acetic acid, 2phenylethyl ester
    • CHEMBL3184025
    • PHENETHYL ACETATE [INCI]
    • Acetic acid beta -phenylethyl ester
    • NSC71927
    • Tox21_301027
    • Acetic acid .beta.-phenylethyl ester
    • Phenethyl acetate, analytical standard
    • AKOS005207039
    • FP39720
    • Phenethyl acetate, >=98%, FCC, FG
    • NCGC00248260-01
    • NCGC00254929-01
    • AC-18657
    • BS-42314
    • CAS-103-45-7
    • A0692
    • CS-0154998
    • NS00006759
    • Phenethyl acetate, natural, >=98%, FCC, FG
    • Q6856299
    • 203-113-5

  • Applications

    Phenethyl acetate (CAS 103-45-7) is a sweet, rose-scented ester widely used to confer floral and honey-like notes in fine fragrances, food and beverage flavors, personal-care cosmetics, soaps, and air fresheners; it also functions as a peach, honey, and caramel flavor in candies, baked goods, and soft drinks, as a solvent and aroma carrier in e-cigarette liquids, an insect attractant in agricultural studies, a stable intermediate in organic synthesis, and a reference standard in analytical quality control of aroma and flavor products.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 403.3
    methanol 528.46
    isopropanol 214.84
    water 3.44
    ethyl acetate 275.87
    n-propanol 244.06
    acetone 345.04
    n-butanol 176.51
    acetonitrile 312.52
    DMF 771.92
    toluene 90.97
    isobutanol 136.15
    1,4-dioxane 779.64
    methyl acetate 282.65
    THF 440.51
    2-butanone 239.79
    n-pentanol 140.71
    sec-butanol 159.32
    n-hexane 10.79
    ethylene glycol 157.16
    NMP 455.73
    cyclohexane 13.84
    DMSO 926.26
    n-butyl acetate 113.97
    n-octanol 34.37
    chloroform 776.1
    n-propyl acetate 118.15
    acetic acid 471.69
    dichloromethane 641.65
    cyclohexanone 278.85
    propylene glycol 183.28
    isopropyl acetate 122.63
    DMAc 800.22
    2-ethoxyethanol 355.34
    isopentanol 130.58
    n-heptane 5.37
    ethyl formate 128.58
    1,2-dichloroethane 395.65
    n-hexanol 92.33
    2-methoxyethanol 555.88
    isobutyl acetate 76.47
    tetrachloromethane 47.93
    n-pentyl acetate 50.01
    transcutol 1333.68
    n-heptanol 30.83
    ethylbenzene 45.55
    MIBK 94.98
    2-propoxyethanol 229.42
    tert-butanol 236.96
    MTBE 162.16
    2-butoxyethanol 95.75
    propionic acid 259.54
    o-xylene 62.67
    formic acid 271.89
    diethyl ether 250.72
    m-xylene 56.09
    p-xylene 58.96
    chlorobenzene 152.82
    dimethyl carbonate 115.72
    n-octane 2.08
    formamide 429.39
    cyclopentanone 319.4
    2-pentanone 154.39
    anisole 182.76
    cyclopentyl methyl ether 180.9
    gamma-butyrolactone 407.8
    1-methoxy-2-propanol 311.89
    pyridine 433.98
    3-pentanone 154.77
    furfural 404.92
    n-dodecane 2.33
    diethylene glycol 263.44
    diisopropyl ether 44.85
    tert-amyl alcohol 177.24
    acetylacetone 243.66
    n-hexadecane 2.69
    acetophenone 144.77
    methyl propionate 226.57
    isopentyl acetate 109.27
    trichloroethylene 764.48
    n-nonanol 32.89
    cyclohexanol 132.85
    benzyl alcohol 139.03
    2-ethylhexanol 51.54
    isooctanol 26.88
    dipropyl ether 74.13
    1,2-dichlorobenzene 148.94
    ethyl lactate 75.25
    propylene carbonate 185.63
    n-methylformamide 334.27
    2-pentanol 86.43
    n-pentane 6.95
    1-propoxy-2-propanol 137.78
    1-methoxy-2-propyl acetate 163.33
    2-(2-methoxypropoxy) propanol 171.56
    mesitylene 32.63
    ε-caprolactone 249.23
    p-cymene 27.21
    epichlorohydrin 529.15
    1,1,1-trichloroethane 239.67
    2-aminoethanol 259.39
    morpholine-4-carbaldehyde 588.57
    sulfolane 497.17
    2,2,4-trimethylpentane 6.65
    2-methyltetrahydrofuran 301.66
    n-hexyl acetate 87.2
    isooctane 4.15
    2-(2-butoxyethoxy)ethanol 237.88
    sec-butyl acetate 83.02
    tert-butyl acetate 147.0
    decalin 12.18
    glycerin 266.87
    diglyme 468.43
    acrylic acid 245.53
    isopropyl myristate 36.99
    n-butyric acid 233.42
    acetyl acetate 166.07
    di(2-ethylhexyl) phthalate 49.21
    ethyl propionate 117.1
    nitromethane 730.94
    1,2-diethoxyethane 247.0
    benzonitrile 145.93
    trioctyl phosphate 25.8
    1-bromopropane 153.61
    gamma-valerolactone 500.12
    n-decanol 24.98
    triethyl phosphate 64.19
    4-methyl-2-pentanol 50.27
    propionitrile 187.32
    vinylene carbonate 194.3
    1,1,2-trichlorotrifluoroethane 407.38
    DMS 149.89
    cumene 33.57
    2-octanol 19.48
    2-hexanone 114.48
    octyl acetate 44.84
    limonene 40.43
    1,2-dimethoxyethane 474.68
    ethyl orthosilicate 61.9
    tributyl phosphate 44.97
    diacetone alcohol 174.6
    N,N-dimethylaniline 115.79
    acrylonitrile 253.11
    aniline 185.85
    1,3-propanediol 273.06
    bromobenzene 152.2
    dibromomethane 349.57
    1,1,2,2-tetrachloroethane 624.1
    2-methyl-cyclohexyl acetate 85.55
    tetrabutyl urea 58.78
    diisobutyl methanol 33.49
    2-phenylethanol 96.43
    styrene 71.49
    dioctyl adipate 75.38
    dimethyl sulfate 217.53
    ethyl butyrate 95.25
    methyl lactate 122.53
    butyl lactate 61.92
    diethyl carbonate 80.22
    propanediol butyl ether 119.93
    triethyl orthoformate 81.88
    p-tert-butyltoluene 26.73
    methyl 4-tert-butylbenzoate 104.43
    morpholine 800.03
    tert-butylamine 121.94
    n-dodecanol 19.12
    dimethoxymethane 357.15
    ethylene carbonate 162.16
    cyrene 153.39
    2-ethoxyethyl acetate 126.34
    2-ethylhexyl acetate 87.75
    1,2,4-trichlorobenzene 195.44
    4-methylpyridine 303.18
    dibutyl ether 65.72
    2,6-dimethyl-4-heptanol 33.49
    DEF 278.51
    dimethyl isosorbide 250.91
    tetrachloroethylene 359.45
    eugenol 114.6
    triacetin 153.45
    span 80 114.37
    1,4-butanediol 109.47
    1,1-dichloroethane 311.1
    2-methyl-1-pentanol 113.18
    methyl formate 193.95
    2-methyl-1-butanol 128.97
    n-decane 3.67
    butyronitrile 155.52
    3,7-dimethyl-1-octanol 44.85
    1-chlorooctane 21.97
    1-chlorotetradecane 10.02
    n-nonane 3.29
    undecane 2.84
    tert-butylcyclohexane 11.36
    cyclooctane 4.11
    cyclopentanol 127.06
    tetrahydropyran 378.2
    tert-amyl methyl ether 125.76
    2,5,8-trioxanonane 356.98
    1-hexene 53.85
    2-isopropoxyethanol 179.08
    2,2,2-trifluoroethanol 142.32
    methyl butyrate 145.06

    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
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.07%
Cassia, branch & leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.24%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.01%
Coronilla emerus headspace Coronilla emerus L., fam. Leguminosae 21.0%
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 2.0%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.52%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.2%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Rosa chinensis (headspace), China Rosa chinensis Jacq., fam. Rosaceae 1.64%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.04%
Narcissus tazetta absolute 1 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 1.17%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 1.57%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose (Kazanlik) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.2%
Litsea zeylanica Litsea zeylanica Nees, fam. Lauraceae 0.04%
False acacia flower (Black locust flower) 2 Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 1.05%
Cinnamon leaf (Sri Lanka) 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.01%
Cassia, branch & leaf (China) 1a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.73%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.24%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 1.8%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 2.05%
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 3.38%
Narcissus tazetta headspace (China) 2 8023-75-4 Narcissus tazetta L. var chinensis Roem. f. florepleno, fam.Amaryllidaceae 0.85%
Cassia, branch & leaf (China) 1b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.73%
Eucalyptus globulus (Algeria) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Eucalyptus globulus (Portugal) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.15%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 7.16%
Cymbidium goeringii flower headspace Cymbidium goeringii (Rchb.f.) Rchb.f., fam Orchidaceae 0.05%
Lycaste aromatica flower headspace Lycaste aromatica Lindl., fam Orchidaceae 0.05%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 0.05%
Ylang Ylang 5a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.19%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.15%
Ylang Ylang 5b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonacaea 0.12%
Ylang Ylang 5c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.04%
Ylang Ylang 5d 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.02%
Jasmine polyanthum flower headspace Jasminum polyanthum L., fam. Oleaceae 2.17%
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.5%
Jasmine sambac (France) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 0.2%
Clover, white flower (Austria) Trifolium repens L., fam Liguminosae (Papilionaceae) 3.3%
Clover, red flower (Austria) 85085-25-2 Trifolium pratense L., fam. Leguminosae (Papilionaceae) 2.7%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 1.04%
Ylang Ylang (China) 4 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson, fam. Annonaceae 0.63%
Jasmine (China) 2a (headspace) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.07%
Narcissus tazetta (var. chinensis) 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amaryllidaceae 0.92%
Narcissus tazetta (var. chinensis) headspace 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amarillidaceae 1.53%
Neroli bigarade (bitter orange flower) Tunisia 2 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.03%
Neroli bigarade (bitter orange flower) Morocco 8016-38-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.18%