2-Phenylethyl formate

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  • Identifiers

    CAS number
    104-62-1

    Molecular formula
    C9H10O2

    SMILES
    C1=CC=C(C=C1)CCOC=O

    Retention indicies (RI)

    • DB5: 1174.0
    • Carbowax: 1772.5

  • Odor profile

    Green 88.32%
    Floral 85.02%
    Rose 65.83%
    Hyacinth 64.25%
    Balsamic 50.44%
    Honey 49.8%
    Leafy 48.07%
    Sweet 48.01%
    Fresh 47.04%
    Herbal 46.98%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 226.00 °C. @ 760.00 mm Hg

    Flash point est.
    101.69 ˚C

    Solubility expt.

    • slightly
    • Slighty soluble in water
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Phenethyl formate
    • 2-Phenylethyl formate
    • 104-62-1
    • Formic acid, 2-phenylethyl ester
    • Benzylcarbinyl formate
    • Phenethyl alcohol, formate
    • 2-Phenethyl formate
    • Phenylethyl formate
    • 2-Phenethyl methanoate
    • Benzeneethanol, formate
    • Benzylcarbinyl methanoate
    • Formic Acid Phenethyl Ester
    • FORMIC ACID, PHENETHYL ESTER
    • Phenyl ethyl formate
    • FEMA No. 2864
    • Phenethyl formate (natural)
    • Benzyl carbinyl formate
    • NSC 404456
    • 2-Fenylethylester kyseliny mravenci
    • EINECS 203-220-7
    • UNII-3X97A637DJ
    • BRN 2044524
    • AI3-18542
    • 3X97A637DJ
    • .beta.-Phenethyl formate
    • .beta.-Phenylethyl formate
    • NSC-404456
    • 2-Phenylethyl formate, 9CI
    • DTXSID2059300
    • PHENETHYL FORMATE [FHFI]
    • CHEBI:87417
    • FEMA 2864
    • Formic Acid 2-Phenylethyl Ester
    • IKDIJXDZEYHZSD-UHFFFAOYSA-
    • beta-Phenylethyl formate
    • 2-Fenylethylester kyseliny mravenci [Czech]
    • Formic acid,2-phenylethyl ester
    • b-Phenethyl formate
    • MFCD00021046
    • beta-Phenethyl formate
    • Formate phenethyl ester
    • beta -phenethyl formate
    • b-Phenethyl formic acid
    • beta -phenylethyl formate
    • 1-(Phenylethyl) Formate
    • Benzylcarbinyl formic acid
    • 2-Phenylethyl formic acid
    • beta-Phenethyl formic acid
    • WLN: VHO2R
    • 2-Phenethyl methanoic acid
    • Benzylcarbinyl methanoic acid
    • SCHEMBL26583
    • DTXCID7032848
    • Phenethyl formate, >=96%, FG
    • Phenethyl alcohol, formate (8CI)
    • BCP25275
    • NSC404456
    • AKOS015900485
    • FORMIC ACID 2-PENTYLETHYL ESTER
    • AS-85118
    • DB-243562
    • F0363
    • NS00013116
    • E78940
    • Q27159613
    • 203-220-7

  • Applications

    Phenethyl formate (CAS 104-62-1) is valued in the flavour and fragrance industries for its sweet, honey-like, rosy and ripe-fruit odour, and is widely incorporated as a perfuming component in fine fragrances, air-freshening sprays, scented candles, personal-care cosmetics, soaps and mild detergents, while also acting as a flavouring agent that recreates peach, apricot, strawberry, caramel or rum notes in confectionery, beverages, dairy and chewing products; beyond sensorial uses it serves as a solvent or synthetic intermediate in pharmaceutical manufacture, complex aroma compounds and insect pheromone research, and thanks to its moderate volatility it helps extend scent diffusion, stabilise essential-oil blends and mask unwanted technical off-notes.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.79
    methanol 371.83
    isopropanol 130.39
    water 0.71
    ethyl acetate 551.2
    n-propanol 199.02
    acetone 579.32
    n-butanol 135.34
    acetonitrile 342.39
    DMF 884.09
    toluene 113.65
    isobutanol 111.45
    1,4-dioxane 535.78
    methyl acetate 465.85
    THF 558.2
    2-butanone 462.34
    n-pentanol 117.24
    sec-butanol 119.14
    n-hexane 5.17
    ethylene glycol 123.32
    NMP 643.45
    cyclohexane 7.73
    DMSO 1994.46
    n-butyl acetate 235.04
    n-octanol 28.68
    chloroform 554.27
    n-propyl acetate 272.53
    acetic acid 511.95
    dichloromethane 773.42
    cyclohexanone 481.1
    propylene glycol 119.02
    isopropyl acetate 206.93
    DMAc 580.73
    2-ethoxyethanol 356.54
    isopentanol 116.36
    n-heptane 5.1
    ethyl formate 201.64
    1,2-dichloroethane 774.32
    n-hexanol 101.79
    2-methoxyethanol 543.49
    isobutyl acetate 131.61
    tetrachloromethane 49.34
    n-pentyl acetate 75.88
    transcutol 1842.92
    n-heptanol 34.59
    ethylbenzene 61.02
    MIBK 165.93
    2-propoxyethanol 268.92
    tert-butanol 188.98
    MTBE 158.4
    2-butoxyethanol 124.61
    propionic acid 338.54
    o-xylene 76.52
    formic acid 275.46
    diethyl ether 226.72
    m-xylene 74.3
    p-xylene 70.35
    chlorobenzene 208.23
    dimethyl carbonate 203.2
    n-octane 1.64
    formamide 679.62
    cyclopentanone 707.48
    2-pentanone 324.58
    anisole 229.63
    cyclopentyl methyl ether 257.04
    gamma-butyrolactone 938.16
    1-methoxy-2-propanol 313.16
    pyridine 578.61
    3-pentanone 276.98
    furfural 685.92
    n-dodecane 1.63
    diethylene glycol 265.6
    diisopropyl ether 47.68
    tert-amyl alcohol 149.81
    acetylacetone 469.22
    n-hexadecane 1.94
    acetophenone 211.81
    methyl propionate 450.16
    isopentyl acetate 184.57
    trichloroethylene 1367.88
    n-nonanol 27.64
    cyclohexanol 118.82
    benzyl alcohol 155.43
    2-ethylhexanol 62.73
    isooctanol 31.51
    dipropyl ether 93.39
    1,2-dichlorobenzene 203.67
    ethyl lactate 115.37
    propylene carbonate 383.16
    n-methylformamide 603.51
    2-pentanol 82.19
    n-pentane 3.44
    1-propoxy-2-propanol 173.6
    1-methoxy-2-propyl acetate 261.95
    2-(2-methoxypropoxy) propanol 188.65
    mesitylene 43.88
    ε-caprolactone 397.48
    p-cymene 37.13
    epichlorohydrin 1112.58
    1,1,1-trichloroethane 362.57
    2-aminoethanol 214.26
    morpholine-4-carbaldehyde 634.44
    sulfolane 1182.53
    2,2,4-trimethylpentane 4.84
    2-methyltetrahydrofuran 451.56
    n-hexyl acetate 115.72
    isooctane 3.9
    2-(2-butoxyethoxy)ethanol 274.28
    sec-butyl acetate 159.03
    tert-butyl acetate 236.31
    decalin 9.45
    glycerin 209.97
    diglyme 583.96
    acrylic acid 355.53
    isopropyl myristate 42.84
    n-butyric acid 328.62
    acetyl acetate 251.62
    di(2-ethylhexyl) phthalate 50.33
    ethyl propionate 243.3
    nitromethane 1372.57
    1,2-diethoxyethane 308.06
    benzonitrile 188.94
    trioctyl phosphate 31.73
    1-bromopropane 182.35
    gamma-valerolactone 808.22
    n-decanol 21.19
    triethyl phosphate 81.54
    4-methyl-2-pentanol 51.83
    propionitrile 225.3
    vinylene carbonate 332.52
    1,1,2-trichlorotrifluoroethane 663.87
    DMS 208.12
    cumene 40.42
    2-octanol 19.2
    2-hexanone 233.25
    octyl acetate 53.27
    limonene 52.5
    1,2-dimethoxyethane 450.77
    ethyl orthosilicate 72.16
    tributyl phosphate 51.96
    diacetone alcohol 278.83
    N,N-dimethylaniline 124.91
    acrylonitrile 392.0
    aniline 210.51
    1,3-propanediol 225.77
    bromobenzene 205.54
    dibromomethane 369.13
    1,1,2,2-tetrachloroethane 985.82
    2-methyl-cyclohexyl acetate 123.32
    tetrabutyl urea 69.7
    diisobutyl methanol 39.21
    2-phenylethanol 127.77
    styrene 90.37
    dioctyl adipate 91.86
    dimethyl sulfate 395.06
    ethyl butyrate 178.78
    methyl lactate 173.8
    butyl lactate 83.86
    diethyl carbonate 132.16
    propanediol butyl ether 131.54
    triethyl orthoformate 108.9
    p-tert-butyltoluene 33.87
    methyl 4-tert-butylbenzoate 127.67
    morpholine 729.36
    tert-butylamine 82.78
    n-dodecanol 16.37
    dimethoxymethane 413.59
    ethylene carbonate 252.88
    cyrene 174.98
    2-ethoxyethyl acetate 196.64
    2-ethylhexyl acetate 142.83
    1,2,4-trichlorobenzene 264.16
    4-methylpyridine 367.67
    dibutyl ether 61.5
    2,6-dimethyl-4-heptanol 39.21
    DEF 470.42
    dimethyl isosorbide 315.66
    tetrachloroethylene 551.56
    eugenol 133.03
    triacetin 181.92
    span 80 124.0
    1,4-butanediol 89.21
    1,1-dichloroethane 418.5
    2-methyl-1-pentanol 103.97
    methyl formate 355.03
    2-methyl-1-butanol 114.16
    n-decane 2.58
    butyronitrile 166.0
    3,7-dimethyl-1-octanol 46.16
    1-chlorooctane 22.32
    1-chlorotetradecane 8.53
    n-nonane 2.35
    undecane 2.02
    tert-butylcyclohexane 8.51
    cyclooctane 3.16
    cyclopentanol 142.99
    tetrahydropyran 365.85
    tert-amyl methyl ether 126.11
    2,5,8-trioxanonane 358.72
    1-hexene 40.93
    2-isopropoxyethanol 214.85
    2,2,2-trifluoroethanol 190.48
    methyl butyrate 307.2

    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
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.01%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 0.1%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.01%
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.06%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 0.05%
Keora (India) 3 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.01%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.93%
Keora (India) 2 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.01%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.9%