alpha-Methylbenzyl formate

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  • Identifiers

    CAS number
    7775-38-4

    Molecular formula
    C9H10O2

    SMILES
    CC(C1=CC=CC=C1)OC=O

  • Odor profile

    Fragrance
    Green 88.39%
    Floral 84.32%
    Herbal 52.03%
    Woody 50.9%
    Fresh 49.42%
    Hyacinth 42.28%
    Fruity 41.93%
    Balsamic 41.87%
    Leafy 41.8%
    Cortex 37.0%

     

    Flavor
    Green 86.65%
    Floral 70.65%
    Bitter 54.6%
    Fresh 51.59%
    Hyacinth 47.03%
    Sweet 44.47%
    Rose 38.5%
    Fruity 37.65%
    Leaf 36.92%
    Herbal 36.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.23 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    212°C

    Flash point

    • 88.81 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 1-Phenylethyl formate
    • Styralyl formate
    • 7775-38-4
    • alpha-Methylbenzyl formate
    • alpha-Phenylethyl formate
    • FEMA No. 2688
    • 1-Phenyl-1-ethyl formate
    • Methylphenylcarbinyl formate
    • alpha-Methylbenzyl methanoate
    • 1-Phenyl-1-ethyl methanoate
    • 3W5QCG0H58
    • Benzyl alcohol, alpha-methyl-, formate
    • Benzenemethanol, alpha-methyl-, formate
    • alpha-Methylbenzyl alcohol formate
    • alpha-Methylbenzenemethanol formate
    • EINECS 231-893-7
    • UNII-3W5QCG0H58
    • .alpha.-Methylbenzyl formate
    • NSC 404480
    • Benzenemethanol, .alpha.-methyl-, formate
    • Benzenemethanol, alpha-methyl-, 1-formate
    • AI3-18714
    • NSC-404480
    • Benzyl alcohol, .alpha.-methyl-, formate
    • Benzenemethanol, .alpha.-methyl-, 1-formate
    • DTXSID90864118
    • .ALPHA.-PHENYLETHYL FORMATE
    • 1-?Phenylethyl Formate
    • .ALPHA.-METHYLBENZYL FORMATE [FHFI]
    • 1-phenylethyl ormate
    • a-Methylbenzyl formate
    • SCHEMBL96936
    • FEMA 2688
    • DTXCID20812667
    • Formic acid, 1-phenylethyl ester
    • CHEBI:156170
    • NSC404480
    • DB-250474
    • NS00045795
    • Benzyl alcohol, alpha-methyl-, formate (8CI)
    • Q27258119
    • 231-893-7

  • Applications

    alpha-Methylbenzyl formate (CAS 7775-38-4) is used primarily as a fragrance ingredient in perfumery, providing almond-like notes and, in some formulations, acting as a fixative to moderate volatility. It is also used in cosmetics and personal care products as a scent component, and in household products such as air fresheners and cleaners to impart aroma. In flavor formulations, it may be employed as an aroma chemical where allowed by regulations. Beyond consumer use, it can function as an intermediate in organic synthesis for fragrance-related compounds and, occasionally, as a processing aid or minor additive in coatings/inks where a fragrance is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 572.55
    methanol 655.36
    isopropanol 304.65
    water 1.02
    ethyl acetate 1103.69
    n-propanol 389.97
    acetone 2034.58
    n-butanol 253.8
    acetonitrile 1537.99
    DMF 2061.94
    toluene 309.02
    isobutanol 225.04
    1,4-dioxane 1383.08
    methyl acetate 1265.24
    THF 1510.85
    2-butanone 1400.09
    n-pentanol 203.55
    sec-butanol 261.21
    n-hexane 26.93
    ethylene glycol 151.06
    NMP 2149.7
    cyclohexane 39.12
    DMSO 4878.55
    n-butyl acetate 559.42
    n-octanol 92.45
    chloroform 1649.18
    n-propyl acetate 597.0
    acetic acid 686.37
    dichloromethane 2841.57
    cyclohexanone 1477.68
    propylene glycol 140.95
    isopropyl acetate 382.26
    DMAc 1097.8
    2-ethoxyethanol 509.12
    isopentanol 211.17
    n-heptane 18.0
    ethyl formate 625.6
    1,2-dichloroethane 2466.92
    n-hexanol 200.23
    2-methoxyethanol 766.98
    isobutyl acetate 228.28
    tetrachloromethane 180.65
    n-pentyl acetate 218.45
    transcutol 2354.34
    n-heptanol 79.44
    ethylbenzene 179.56
    MIBK 305.99
    2-propoxyethanol 420.46
    tert-butanol 342.55
    MTBE 369.5
    2-butoxyethanol 212.66
    propionic acid 607.11
    o-xylene 187.97
    formic acid 297.14
    diethyl ether 581.68
    m-xylene 180.25
    p-xylene 197.61
    chlorobenzene 642.09
    dimethyl carbonate 369.55
    n-octane 6.33
    formamide 1044.99
    cyclopentanone 2123.29
    2-pentanone 816.62
    anisole 530.58
    cyclopentyl methyl ether 679.29
    gamma-butyrolactone 2600.08
    1-methoxy-2-propanol 453.35
    pyridine 1316.75
    3-pentanone 714.11
    furfural 1590.36
    n-dodecane 5.41
    diethylene glycol 336.04
    diisopropyl ether 103.15
    tert-amyl alcohol 303.65
    acetylacetone 934.36
    n-hexadecane 6.51
    acetophenone 480.5
    methyl propionate 975.04
    isopentyl acetate 382.94
    trichloroethylene 3582.15
    n-nonanol 75.87
    cyclohexanol 281.41
    benzyl alcohol 285.75
    2-ethylhexanol 126.28
    isooctanol 66.22
    dipropyl ether 198.96
    1,2-dichlorobenzene 571.05
    ethyl lactate 182.22
    propylene carbonate 990.48
    n-methylformamide 1482.95
    2-pentanol 171.74
    n-pentane 18.13
    1-propoxy-2-propanol 286.07
    1-methoxy-2-propyl acetate 435.07
    2-(2-methoxypropoxy) propanol 265.97
    mesitylene 98.35
    ε-caprolactone 1122.65
    p-cymene 82.74
    epichlorohydrin 2855.89
    1,1,1-trichloroethane 1153.49
    2-aminoethanol 278.35
    morpholine-4-carbaldehyde 1326.2
    sulfolane 3010.02
    2,2,4-trimethylpentane 13.53
    2-methyltetrahydrofuran 1316.12
    n-hexyl acetate 332.64
    isooctane 10.06
    2-(2-butoxyethoxy)ethanol 412.72
    sec-butyl acetate 292.8
    tert-butyl acetate 371.07
    decalin 29.9
    glycerin 205.08
    diglyme 901.61
    acrylic acid 599.75
    isopropyl myristate 96.22
    n-butyric acid 549.78
    acetyl acetate 434.74
    di(2-ethylhexyl) phthalate 96.93
    ethyl propionate 476.38
    nitromethane 2959.45
    1,2-diethoxyethane 529.25
    benzonitrile 530.64
    trioctyl phosphate 67.88
    1-bromopropane 681.3
    gamma-valerolactone 1943.16
    n-decanol 55.41
    triethyl phosphate 145.72
    4-methyl-2-pentanol 88.7
    propionitrile 684.17
    vinylene carbonate 794.4
    1,1,2-trichlorotrifluoroethane 967.12
    DMS 421.24
    cumene 99.44
    2-octanol 56.68
    2-hexanone 565.15
    octyl acetate 128.38
    limonene 122.02
    1,2-dimethoxyethane 898.0
    ethyl orthosilicate 126.5
    tributyl phosphate 106.14
    diacetone alcohol 405.85
    N,N-dimethylaniline 252.71
    acrylonitrile 1124.59
    aniline 457.05
    1,3-propanediol 322.12
    bromobenzene 679.58
    dibromomethane 1504.0
    1,1,2,2-tetrachloroethane 2168.1
    2-methyl-cyclohexyl acetate 225.76
    tetrabutyl urea 142.94
    diisobutyl methanol 72.04
    2-phenylethanol 242.52
    styrene 258.99
    dioctyl adipate 175.31
    dimethyl sulfate 726.67
    ethyl butyrate 350.24
    methyl lactate 264.75
    butyl lactate 175.93
    diethyl carbonate 254.93
    propanediol butyl ether 241.75
    triethyl orthoformate 185.63
    p-tert-butyltoluene 75.61
    methyl 4-tert-butylbenzoate 243.86
    morpholine 1571.3
    tert-butylamine 174.8
    n-dodecanol 41.17
    dimethoxymethane 784.13
    ethylene carbonate 636.36
    cyrene 295.98
    2-ethoxyethyl acetate 410.81
    2-ethylhexyl acetate 307.88
    1,2,4-trichlorobenzene 645.32
    4-methylpyridine 1088.31
    dibutyl ether 164.75
    2,6-dimethyl-4-heptanol 72.04
    DEF 968.82
    dimethyl isosorbide 519.21
    tetrachloroethylene 1239.14
    eugenol 232.16
    triacetin 339.65
    span 80 192.96
    1,4-butanediol 138.26
    1,1-dichloroethane 1586.16
    2-methyl-1-pentanol 185.88
    methyl formate 1037.73
    2-methyl-1-butanol 214.09
    n-decane 9.33
    butyronitrile 477.35
    3,7-dimethyl-1-octanol 104.12
    1-chlorooctane 77.21
    1-chlorotetradecane 25.27
    n-nonane 9.0
    undecane 7.0
    tert-butylcyclohexane 24.48
    cyclooctane 12.75
    cyclopentanol 407.57
    tetrahydropyran 1112.23
    tert-amyl methyl ether 272.44
    2,5,8-trioxanonane 517.98
    1-hexene 135.04
    2-isopropoxyethanol 310.76
    2,2,2-trifluoroethanol 284.66
    methyl butyrate 717.15

    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