Anisyl formate

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  • Identifiers

    CAS number
    122-91-8

    Molecular formula
    C9H10O3

    SMILES
    COC1=CC=C(C=C1)COC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 87.15%
    Sweet 84.59%
    Fruity 74.16%
    Anisic 63.56%
    Green 62.06%
    Spicy 56.06%
    Herbal 52.78%
    Cherry 52.08%
    Powdery 42.33%
    Vanilla 42.23%

     

    Flavor
    Fruity 86.62%
    Floral 69.58%
    Sweet 49.98%
    Balsam 45.58%
    Almond 44.28%
    Cherry 42.21%
    Berry 40.55%
    Plum 40.54%
    Spicy 40.45%
    Pineapple 36.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.43 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 220.00 °C. @ 760.00 mm Hg

    Flash point

    • 106.97 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 4-Methoxybenzyl formate
    • Anisyl formate
    • 122-91-8
    • p-Methoxybenzyl formate
    • (4-methoxyphenyl)methyl formate
    • Anisyl methanoate
    • Benzenemethanol, 4-methoxy-, 1-formate
    • Anisyl alcohol, formate
    • BENZENEMETHANOL, 4-METHOXY-, FORMATE
    • p-Methoxybenzyl alcohol, formate
    • 4-Methoxybenzenemethyl formate
    • p-Anisyl formate
    • Benzyl alcohol, p-methoxy-, formate
    • FEMA No. 2101
    • Anisyl formate (natural)
    • Methoxybenzyl methanoate, p-
    • UNII-7N0ADO5BXI
    • 7N0ADO5BXI
    • NSC 5949
    • EINECS 204-582-9
    • DTXSID7047649
    • AI3-02941
    • NSC-5949
    • p-Methoxybenzyl methanoate
    • ANISYL FORMATE [FCC]
    • ANISYL FORMATE [FHFI]
    • DTXCID5027649
    • FEMA 2101
    • para-anisyl formate
    • pMethoxybenzyl formate
    • 4Methoxybenzyl formate
    • Methoxybenzyl methanoate, p
    • 4-Methoxybenzyl formic acid
    • SCHEMBL6342
    • 4Methoxybenzenemethyl formate
    • (4-methoxyphenyl)methyl ormate
    • pMethoxybenzyl alcohol, formate
    • CHEMBL3188181
    • NSC5949
    • Benzyl alcohol, pmethoxy, formate
    • CHEBI:173752
    • Benzenemethanol, 4methoxy, formate
    • (4-Methoxyphenyl)methyl formic acid
    • Benzenemethanol, 4methoxy, 1formate
    • Tox21_302535
    • Anisyl formate, >=90%, FCC, FG
    • AKOS024319071
    • NCGC00256666-01
    • AS-63839
    • CAS-122-91-8
    • Benzyl alcohol, p-methoxy-, formate (8CI)
    • NS00011988
    • Q27268587
    • (4-Anisyl)methyl Formate; 4-Methoxybenzyl Formate; Anisyl Formate; NSC 5949;
    • 204-582-9

  • Applications

    Anisyl formate (CAS 122-91-8) is an aromatic ester widely used by the flavour and fragrance industry for its soft, creamy odour that melds floral, ripe-fruit and warm vanilla-anisic nuances, lending sweet depth to feminine, oriental or spring-flower perfumes; it is typically dosed from traces to several parts per thousand in parfums, eau de toilettes and body mists, acting as a rounding, fixative and bridging material between aldehydic, white-floral and musky notes, and it also features in shampoos, shower gels, soaps, cleaners, deodorants and scented candles owing to its good alkali and heat stability; in food, the compound is listed under FEMA 2094 as a natural flavour, adding creamy sweetness to confectionery, beverages, dairy analogues and baked goods, while its reactive formate group makes it a useful intermediate for green pharmaceutical and fine-chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 123.26
    methanol 149.65
    isopropanol 59.66
    water 1.07
    ethyl acetate 268.43
    n-propanol 64.02
    acetone 158.58
    n-butanol 49.23
    acetonitrile 266.99
    DMF 195.47
    toluene 43.18
    isobutanol 34.14
    1,4-dioxane 308.84
    methyl acetate 237.4
    THF 243.16
    2-butanone 140.61
    n-pentanol 44.05
    sec-butanol 45.9
    n-hexane 0.93
    ethylene glycol 63.76
    NMP 138.73
    cyclohexane 2.78
    DMSO 577.5
    n-butyl acetate 74.76
    n-octanol 15.78
    chloroform 227.0
    n-propyl acetate 106.41
    acetic acid 248.89
    dichloromethane 428.6
    cyclohexanone 120.49
    propylene glycol 59.74
    isopropyl acetate 75.84
    DMAc 220.59
    2-ethoxyethanol 199.02
    isopentanol 43.64
    n-heptane 2.75
    ethyl formate 127.25
    1,2-dichloroethane 246.92
    n-hexanol 36.99
    2-methoxyethanol 293.26
    isobutyl acetate 48.31
    tetrachloromethane 17.24
    n-pentyl acetate 28.33
    transcutol 547.57
    n-heptanol 15.96
    ethylbenzene 21.83
    MIBK 55.43
    2-propoxyethanol 110.09
    tert-butanol 114.25
    MTBE 57.62
    2-butoxyethanol 55.78
    propionic acid 117.47
    o-xylene 34.18
    formic acid 221.97
    diethyl ether 79.85
    m-xylene 31.64
    p-xylene 28.59
    chlorobenzene 70.99
    dimethyl carbonate 79.55
    n-octane 1.24
    formamide 436.26
    cyclopentanone 163.18
    2-pentanone 91.98
    anisole 95.27
    cyclopentyl methyl ether 85.69
    gamma-butyrolactone 273.36
    1-methoxy-2-propanol 150.73
    pyridine 219.95
    3-pentanone 72.47
    furfural 271.88
    n-dodecane 1.33
    diethylene glycol 137.58
    diisopropyl ether 16.67
    tert-amyl alcohol 73.96
    acetylacetone 152.77
    n-hexadecane 1.53
    acetophenone 90.0
    methyl propionate 163.7
    isopentyl acetate 59.25
    trichloroethylene 447.18
    n-nonanol 15.69
    cyclohexanol 44.59
    benzyl alcohol 79.48
    2-ethylhexanol 26.63
    isooctanol 15.44
    dipropyl ether 38.77
    1,2-dichlorobenzene 66.55
    ethyl lactate 54.29
    propylene carbonate 126.31
    n-methylformamide 219.88
    2-pentanol 31.06
    n-pentane 0.99
    1-propoxy-2-propanol 67.58
    1-methoxy-2-propyl acetate 96.5
    2-(2-methoxypropoxy) propanol 93.44
    mesitylene 18.69
    ε-caprolactone 120.31
    p-cymene 18.09
    epichlorohydrin 404.82
    1,1,1-trichloroethane 118.31
    2-aminoethanol 93.61
    morpholine-4-carbaldehyde 239.93
    sulfolane 264.36
    2,2,4-trimethylpentane 1.74
    2-methyltetrahydrofuran 150.3
    n-hexyl acetate 39.64
    isooctane 1.42
    2-(2-butoxyethoxy)ethanol 109.53
    sec-butyl acetate 56.71
    tert-butyl acetate 80.58
    decalin 3.08
    glycerin 120.51
    diglyme 251.45
    acrylic acid 127.14
    isopropyl myristate 19.05
    n-butyric acid 125.4
    acetyl acetate 122.19
    di(2-ethylhexyl) phthalate 24.09
    ethyl propionate 92.51
    nitromethane 638.07
    1,2-diethoxyethane 113.83
    benzonitrile 85.46
    trioctyl phosphate 14.72
    1-bromopropane 60.54
    gamma-valerolactone 230.18
    n-decanol 12.47
    triethyl phosphate 43.72
    4-methyl-2-pentanol 20.12
    propionitrile 115.68
    vinylene carbonate 129.82
    1,1,2-trichlorotrifluoroethane 245.5
    DMS 70.9
    cumene 15.99
    2-octanol 9.64
    2-hexanone 70.12
    octyl acetate 23.6
    limonene 23.96
    1,2-dimethoxyethane 245.87
    ethyl orthosilicate 38.15
    tributyl phosphate 22.55
    diacetone alcohol 110.52
    N,N-dimethylaniline 56.96
    acrylonitrile 194.22
    aniline 92.88
    1,3-propanediol 118.5
    bromobenzene 69.48
    dibromomethane 179.54
    1,1,2,2-tetrachloroethane 250.0
    2-methyl-cyclohexyl acetate 50.53
    tetrabutyl urea 32.14
    diisobutyl methanol 18.45
    2-phenylethanol 56.95
    styrene 32.75
    dioctyl adipate 39.69
    dimethyl sulfate 127.63
    ethyl butyrate 80.39
    methyl lactate 72.54
    butyl lactate 31.55
    diethyl carbonate 66.88
    propanediol butyl ether 52.57
    triethyl orthoformate 54.42
    p-tert-butyltoluene 16.46
    methyl 4-tert-butylbenzoate 61.35
    morpholine 317.99
    tert-butylamine 42.98
    n-dodecanol 10.26
    dimethoxymethane 177.32
    ethylene carbonate 99.63
    cyrene 90.52
    2-ethoxyethyl acetate 77.63
    2-ethylhexyl acetate 45.54
    1,2,4-trichlorobenzene 92.31
    4-methylpyridine 145.75
    dibutyl ether 27.13
    2,6-dimethyl-4-heptanol 18.45
    DEF 122.56
    dimethyl isosorbide 148.48
    tetrachloroethylene 143.71
    eugenol 65.54
    triacetin 79.21
    span 80 52.97
    1,4-butanediol 51.0
    1,1-dichloroethane 152.41
    2-methyl-1-pentanol 39.86
    methyl formate 184.54
    2-methyl-1-butanol 38.35
    n-decane 2.01
    butyronitrile 84.11
    3,7-dimethyl-1-octanol 21.99
    1-chlorooctane 10.66
    1-chlorotetradecane 5.15
    n-nonane 1.73
    undecane 1.58
    tert-butylcyclohexane 2.95
    cyclooctane 1.38
    cyclopentanol 49.95
    tetrahydropyran 135.33
    tert-amyl methyl ether 45.99
    2,5,8-trioxanonane 175.81
    1-hexene 7.31
    2-isopropoxyethanol 108.02
    2,2,2-trifluoroethanol 111.56
    methyl butyrate 116.76

    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