Ethyl anisate

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  • Identifiers

    CAS number
    94-30-4

    Molecular formula
    C10H12O3

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

    Retention indicies (RI)

    • Carbowax: 2110.0

  • Odor profile

    Floral 83.85%
    Sweet 83.32%
    Fruity 74.13%
    Anisic 60.85%
    Cherry 51.71%
    Powdery 46.67%
    Vanilla 45.95%
    Herbal 43.86%
    Spicy 42.18%
    Balsamic 39.29%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.43 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 7 - 8 °C

    Boiling point

    • 263.00 to 270.00 °C. @ 760.00 mm Hg

    Flash point est.
    109.55 ˚C

    Solubility expt.

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

  • Synonyms

    • Ethyl 4-methoxybenzoate
    • 94-30-4
    • Ethyl p-anisate
    • Ethyl anisate
    • Ethyl p-methoxybenzoate
    • p-Anisic acid, ethyl ester
    • BENZOIC ACID, 4-METHOXY-, ETHYL ESTER
    • 4-Methoxybenzoic Acid Ethyl Ester
    • FEMA No. 2420
    • Benzoic acid, p-methoxy-, ethyl ester
    • p-Anisic Acid Ethyl Ester
    • Ethyl p-anisoate
    • NSC 4160
    • EINECS 202-320-8
    • KJ95H2S7NM
    • BRN 2209700
    • ETHYL P-METHOXYLBENZOATE
    • AI3-00648
    • 4-methoxy-benzoic acid ethyl ester
    • NSC-4160
    • MFCD00015151
    • ETHYL P-ANISATE [FCC]
    • ETHYL P-ANISATE [FHFI]
    • DTXSID4059099
    • p-Methoxybenzoic acid, ethyl ester
    • 4-10-00-00368 (Beilstein Handbook Reference)
    • Ethyl ester of 4-Methoxybenzoic acid
    • UNII-KJ95H2S7NM
    • FEMA 2420
    • 4-Methoxy ethylbenzoate
    • WLN: 2OVR DO1
    • SCHEMBL203475
    • CHEMBL2260709
    • DTXCID5048897
    • NSC4160
    • CHEBI:173859
    • Ethyl p-anisate, >=97%, FCC
    • STK091072
    • AKOS003596810
    • DS-3812
    • Ethyl p-anisate, >=97%, FCC, FG
    • FE71286
    • SY015619
    • DB-003650
    • A0933
    • CS-0151752
    • NS00012371
    • H11249
    • Q27282290
    • F1335-0003
    • InChI=1/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H
    • 202-320-8

  • Applications

    Ethyl p-anisate (CAS 94-30-4) is an aromatic ester of p-anisic acid widely used in flavour and fragrance industries for its sweet, mild anise-vanilla odour; it functions as a perfume and masking ingredient in fine fragrances, creams, shampoos, soaps and detergents, as a flavour additive in confectionery, beverages, baked goods and e-cigarette liquids; additionally, the compound serves as an intermediate for pharmaceuticals, antifungal agents, UV absorbers and preservatives, acts as a selective solvent in resin and coating formulations, and is employed as an analytical reference standard in laboratory work.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 111.37
    methanol 127.21
    isopropanol 85.12
    water 0.39
    ethyl acetate 343.7
    n-propanol 91.7
    acetone 723.9
    n-butanol 90.93
    acetonitrile 579.26
    DMF 1027.51
    toluene 135.63
    isobutanol 70.86
    1,4-dioxane 497.04
    methyl acetate 367.03
    THF 648.51
    2-butanone 434.65
    n-pentanol 109.16
    sec-butanol 100.43
    n-hexane 28.53
    ethylene glycol 51.08
    NMP 1052.5
    cyclohexane 35.24
    DMSO 2032.58
    n-butyl acetate 328.02
    n-octanol 53.15
    chloroform 1244.23
    n-propyl acetate 301.38
    acetic acid 452.0
    dichloromethane 1625.65
    cyclohexanone 534.82
    propylene glycol 51.6
    isopropyl acetate 195.98
    DMAc 823.55
    2-ethoxyethanol 314.25
    isopentanol 101.51
    n-heptane 11.64
    ethyl formate 238.9
    1,2-dichloroethane 1128.62
    n-hexanol 87.23
    2-methoxyethanol 351.05
    isobutyl acetate 141.16
    tetrachloromethane 139.66
    n-pentyl acetate 145.13
    transcutol 1366.64
    n-heptanol 43.33
    ethylbenzene 122.1
    MIBK 181.3
    2-propoxyethanol 226.36
    tert-butanol 190.76
    MTBE 228.97
    2-butoxyethanol 127.61
    propionic acid 231.19
    o-xylene 121.41
    formic acid 183.79
    diethyl ether 264.74
    m-xylene 104.91
    p-xylene 153.61
    chlorobenzene 392.31
    dimethyl carbonate 237.61
    n-octane 5.2
    formamide 513.75
    cyclopentanone 766.17
    2-pentanone 317.31
    anisole 365.95
    cyclopentyl methyl ether 273.95
    gamma-butyrolactone 986.24
    1-methoxy-2-propanol 249.18
    pyridine 532.44
    3-pentanone 304.81
    furfural 872.96
    n-dodecane 4.68
    diethylene glycol 213.17
    diisopropyl ether 80.35
    tert-amyl alcohol 180.83
    acetylacetone 513.46
    n-hexadecane 5.79
    acetophenone 369.61
    methyl propionate 312.39
    isopentyl acetate 242.57
    trichloroethylene 1987.33
    n-nonanol 50.64
    cyclohexanol 119.49
    benzyl alcohol 214.46
    2-ethylhexanol 72.42
    isooctanol 40.59
    dipropyl ether 121.32
    1,2-dichlorobenzene 425.41
    ethyl lactate 145.43
    propylene carbonate 449.0
    n-methylformamide 465.38
    2-pentanol 79.21
    n-pentane 16.59
    1-propoxy-2-propanol 171.51
    1-methoxy-2-propyl acetate 291.13
    2-(2-methoxypropoxy) propanol 238.72
    mesitylene 77.88
    ε-caprolactone 467.56
    p-cymene 66.04
    epichlorohydrin 1090.37
    1,1,1-trichloroethane 680.12
    2-aminoethanol 87.41
    morpholine-4-carbaldehyde 801.55
    sulfolane 1441.76
    2,2,4-trimethylpentane 16.22
    2-methyltetrahydrofuran 426.67
    n-hexyl acetate 202.35
    isooctane 9.88
    2-(2-butoxyethoxy)ethanol 280.24
    sec-butyl acetate 175.99
    tert-butyl acetate 262.9
    decalin 29.96
    glycerin 120.99
    diglyme 666.73
    acrylic acid 316.22
    isopropyl myristate 81.35
    n-butyric acid 243.19
    acetyl acetate 298.12
    di(2-ethylhexyl) phthalate 85.1
    ethyl propionate 262.59
    nitromethane 1429.19
    1,2-diethoxyethane 376.04
    benzonitrile 338.08
    trioctyl phosphate 56.99
    1-bromopropane 356.59
    gamma-valerolactone 791.25
    n-decanol 37.75
    triethyl phosphate 138.29
    4-methyl-2-pentanol 55.42
    propionitrile 277.41
    vinylene carbonate 445.99
    1,1,2-trichlorotrifluoroethane 701.74
    DMS 315.25
    cumene 82.69
    2-octanol 36.47
    2-hexanone 294.81
    octyl acetate 100.17
    limonene 92.51
    1,2-dimethoxyethane 574.16
    ethyl orthosilicate 116.46
    tributyl phosphate 94.81
    diacetone alcohol 260.92
    N,N-dimethylaniline 223.48
    acrylonitrile 464.68
    aniline 227.63
    1,3-propanediol 120.34
    bromobenzene 460.39
    dibromomethane 933.63
    1,1,2,2-tetrachloroethane 1356.46
    2-methyl-cyclohexyl acetate 182.42
    tetrabutyl urea 123.6
    diisobutyl methanol 49.66
    2-phenylethanol 164.51
    styrene 189.97
    dioctyl adipate 151.51
    dimethyl sulfate 541.01
    ethyl butyrate 225.85
    methyl lactate 174.27
    butyl lactate 126.76
    diethyl carbonate 196.52
    propanediol butyl ether 144.02
    triethyl orthoformate 160.51
    p-tert-butyltoluene 63.21
    methyl 4-tert-butylbenzoate 212.46
    morpholine 525.94
    tert-butylamine 112.94
    n-dodecanol 29.58
    dimethoxymethane 436.8
    ethylene carbonate 330.95
    cyrene 255.39
    2-ethoxyethyl acetate 266.86
    2-ethylhexyl acetate 201.26
    1,2,4-trichlorobenzene 484.02
    4-methylpyridine 479.3
    dibutyl ether 121.26
    2,6-dimethyl-4-heptanol 49.66
    DEF 437.72
    dimethyl isosorbide 412.21
    tetrachloroethylene 794.67
    eugenol 207.35
    triacetin 295.52
    span 80 149.72
    1,4-butanediol 69.02
    1,1-dichloroethane 682.8
    2-methyl-1-pentanol 121.01
    methyl formate 383.49
    2-methyl-1-butanol 99.95
    n-decane 7.84
    butyronitrile 235.71
    3,7-dimethyl-1-octanol 69.02
    1-chlorooctane 51.32
    1-chlorotetradecane 22.45
    n-nonane 7.24
    undecane 5.8
    tert-butylcyclohexane 24.51
    cyclooctane 12.67
    cyclopentanol 135.76
    tetrahydropyran 338.25
    tert-amyl methyl ether 196.76
    2,5,8-trioxanonane 439.24
    1-hexene 96.19
    2-isopropoxyethanol 206.7
    2,2,2-trifluoroethanol 222.18
    methyl butyrate 347.8

    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
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.06%