Anisyl acetate

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  • Identifiers

    CAS number
    104-21-2

    Molecular formula
    C10H12O3

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1426.0
    • Carbowax: 2199.0

  • Odor profile

    Fragrance
    Sweet 93.09%
    Fruity 89.92%
    Floral 87.98%
    Anisic 61.81%
    Cherry 60.98%
    Powdery 49.01%
    Vanilla 45.9%
    Balsamic 42.26%
    Spicy 40.37%
    Herbal 40.25%

     

    Flavor
    Sweet 88.79%
    Fruity 88.71%
    Floral 62.41%
    Balsam 57.26%
    Cherry 54.59%
    Bitter 48.8%
    Plum 47.54%
    Powdery 44.15%
    Vanilla 43.17%
    Banana 41.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.34 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 84 °C

    Boiling point

    • 137.00 °C. @ 12.00 mm Hg

    Flash point

    • 111.58 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 4-Methoxybenzyl acetate
    • Anisyl acetate
    • 104-21-2
    • (4-methoxyphenyl)methyl acetate
    • Cassie ketone
    • P-METHOXYBENZYL ACETATE
    • Benzyl alcohol, p-methoxy-, acetate
    • p-Methoxybenzyl alcohol acetate
    • Anisyl acetate (natural)
    • Anisyl acetate, p-isomer
    • 4-Methoxybenzenemethanol, acetate
    • Benzenemethanol, 4-methoxy-, 1-acetate
    • Benzenemethanol, 4-methoxy-, acetate
    • FEMA No. 2098
    • 4-Methoxybenzenenemethyl acetate
    • Acetic Acid 4-Methoxybenzyl Ester
    • Methoxybenzyl acetate, p-
    • UNII-2GEC7KBO31
    • 4-Anisyl acetate
    • 2GEC7KBO31
    • MFCD00038509
    • DTXSID1044770
    • Acetic acid p-methoxybenzyl ester
    • Acetic Acid Anisyl Ester
    • EINECS 203-185-8
    • NSC 46102
    • NSC-46102
    • ANISYL ACETATE [FCC]
    • ANISYL ACETATE [FHFI]
    • AI3-04097
    • DTXCID9024770
    • 4-METHOXYBENZENEMETHANOL ACETATE
    • p-anisyl acetate
    • ar-anisyl acetate
    • DSSTox_CID_24770
    • DSSTox_RID_82370
    • DSSTox_GSID_47470
    • SCHEMBL112518
    • CHEMBL3184606
    • FEMA 2098
    • CHEBI:193729
    • NSC46102
    • Anisyl acetate, natural, 97%, FG
    • Tox21_301116
    • Tox21_302726
    • AC8426
    • BBL027940
    • STL146652
    • Anisyl acetate, >=97%, FCC, FG
    • AKOS005720839
    • CS-W017197
    • FA01894
    • NCGC00248293-01
    • NCGC00255016-01
    • NCGC00256867-01
    • CAS-104-21-2
    • SY033222
    • VS-08628
    • CAS-1331-83-5
    • DB-059111
    • A0886
    • Benzyl alcohol, p-methoxy-, acetate (8CI)
    • NS00011985
    • Q2823825
    • 215-562-4

  • Applications

    Anisyl acetate (CAS 104-21-2) is primarily used as a fragrance ingredient and odorant in perfumery, contributing sweet, balsamic, and green notes. It is also employed in cosmetics and personal care formulations to impart fragrance. In household products such as air fresheners and cleaners, it serves as a fragrance component. As an intermediate in the synthesis of other aroma chemicals, Anisyl acetate is commonly evaluated for flavor/aroma applications in formulations; use is subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 401.76
    methanol 554.0
    isopropanol 305.6
    water 7.41
    ethyl acetate 286.42
    n-propanol 224.31
    acetone 264.7
    n-butanol 173.33
    acetonitrile 412.65
    DMF 375.71
    toluene 64.8
    isobutanol 142.81
    1,4-dioxane 731.08
    methyl acetate 323.62
    THF 388.03
    2-butanone 210.95
    n-pentanol 137.03
    sec-butanol 200.26
    n-hexane 3.31
    ethylene glycol 179.58
    NMP 180.76
    cyclohexane 6.49
    DMSO 655.33
    n-butyl acetate 66.69
    n-octanol 40.14
    chloroform 449.88
    n-propyl acetate 103.65
    acetic acid 396.4
    dichloromethane 515.28
    cyclohexanone 173.08
    propylene glycol 274.12
    isopropyl acetate 102.38
    DMAc 526.73
    2-ethoxyethanol 440.28
    isopentanol 116.99
    n-heptane 3.86
    ethyl formate 162.58
    1,2-dichloroethane 234.34
    n-hexanol 68.75
    2-methoxyethanol 652.76
    isobutyl acetate 55.69
    tetrachloromethane 29.22
    n-pentyl acetate 36.94
    transcutol 672.01
    n-heptanol 31.87
    ethylbenzene 38.08
    MIBK 68.38
    2-propoxyethanol 193.18
    tert-butanol 383.88
    MTBE 159.5
    2-butoxyethanol 92.84
    propionic acid 235.42
    o-xylene 53.22
    formic acid 291.36
    diethyl ether 157.58
    m-xylene 41.73
    p-xylene 56.83
    chlorobenzene 86.21
    dimethyl carbonate 94.87
    n-octane 2.53
    formamide 498.19
    cyclopentanone 174.33
    2-pentanone 113.24
    anisole 158.47
    cyclopentyl methyl ether 110.57
    gamma-butyrolactone 263.14
    1-methoxy-2-propanol 395.23
    pyridine 271.34
    3-pentanone 95.5
    furfural 318.2
    n-dodecane 3.19
    diethylene glycol 245.08
    diisopropyl ether 26.49
    tert-amyl alcohol 241.52
    acetylacetone 170.33
    n-hexadecane 3.54
    acetophenone 126.14
    methyl propionate 191.13
    isopentyl acetate 58.74
    trichloroethylene 444.45
    n-nonanol 38.5
    cyclohexanol 128.41
    benzyl alcohol 147.56
    2-ethylhexanol 38.61
    isooctanol 27.08
    dipropyl ether 46.31
    1,2-dichlorobenzene 80.07
    ethyl lactate 74.68
    propylene carbonate 141.94
    n-methylformamide 305.63
    2-pentanol 93.14
    n-pentane 2.71
    1-propoxy-2-propanol 116.91
    1-methoxy-2-propyl acetate 110.86
    2-(2-methoxypropoxy) propanol 131.32
    mesitylene 23.13
    ε-caprolactone 170.3
    p-cymene 20.85
    epichlorohydrin 390.88
    1,1,1-trichloroethane 158.25
    2-aminoethanol 298.24
    morpholine-4-carbaldehyde 407.18
    sulfolane 248.93
    2,2,4-trimethylpentane 4.27
    2-methyltetrahydrofuran 235.4
    n-hexyl acetate 65.6
    isooctane 2.45
    2-(2-butoxyethoxy)ethanol 171.72
    sec-butyl acetate 65.07
    tert-butyl acetate 98.92
    decalin 6.55
    glycerin 354.92
    diglyme 339.29
    acrylic acid 191.64
    isopropyl myristate 29.66
    n-butyric acid 215.84
    acetyl acetate 153.81
    di(2-ethylhexyl) phthalate 36.11
    ethyl propionate 99.5
    nitromethane 653.8
    1,2-diethoxyethane 153.18
    benzonitrile 118.94
    trioctyl phosphate 21.24
    1-bromopropane 89.23
    gamma-valerolactone 343.93
    n-decanol 30.54
    triethyl phosphate 47.23
    4-methyl-2-pentanol 45.88
    propionitrile 182.27
    vinylene carbonate 161.52
    1,1,2-trichlorotrifluoroethane 325.15
    DMS 94.91
    cumene 27.33
    2-octanol 22.56
    2-hexanone 89.55
    octyl acetate 37.84
    limonene 27.17
    1,2-dimethoxyethane 516.76
    ethyl orthosilicate 44.06
    tributyl phosphate 30.7
    diacetone alcohol 151.35
    N,N-dimethylaniline 96.24
    acrylonitrile 235.87
    aniline 164.55
    1,3-propanediol 349.54
    bromobenzene 79.26
    dibromomethane 237.78
    1,1,2,2-tetrachloroethane 338.09
    2-methyl-cyclohexyl acetate 58.96
    tetrabutyl urea 43.44
    diisobutyl methanol 24.86
    2-phenylethanol 86.81
    styrene 52.08
    dioctyl adipate 53.82
    dimethyl sulfate 151.69
    ethyl butyrate 68.26
    methyl lactate 121.23
    butyl lactate 45.52
    diethyl carbonate 62.68
    propanediol butyl ether 109.02
    triethyl orthoformate 57.38
    p-tert-butyltoluene 20.24
    methyl 4-tert-butylbenzoate 82.05
    morpholine 690.79
    tert-butylamine 142.77
    n-dodecanol 24.73
    dimethoxymethane 298.19
    ethylene carbonate 130.17
    cyrene 123.55
    2-ethoxyethyl acetate 85.88
    2-ethylhexyl acetate 44.95
    1,2,4-trichlorobenzene 110.53
    4-methylpyridine 225.11
    dibutyl ether 51.01
    2,6-dimethyl-4-heptanol 24.86
    DEF 176.79
    dimethyl isosorbide 175.03
    tetrachloroethylene 176.94
    eugenol 92.52
    triacetin 103.76
    span 80 81.75
    1,4-butanediol 154.95
    1,1-dichloroethane 225.33
    2-methyl-1-pentanol 96.9
    methyl formate 226.06
    2-methyl-1-butanol 114.2
    n-decane 4.9
    butyronitrile 157.78
    3,7-dimethyl-1-octanol 41.85
    1-chlorooctane 21.21
    1-chlorotetradecane 10.23
    n-nonane 4.21
    undecane 3.78
    tert-butylcyclohexane 6.61
    cyclooctane 2.45
    cyclopentanol 129.66
    tetrahydropyran 282.21
    tert-amyl methyl ether 105.63
    2,5,8-trioxanonane 258.42
    1-hexene 22.46
    2-isopropoxyethanol 209.39
    2,2,2-trifluoroethanol 152.39
    methyl butyrate 129.24

    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
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 1.5%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.07%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.01%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.01%
Ylang Ylang (China) 4 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson, fam. Annonaceae 0.14%