Methyl anisate

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  • Identifiers

    CAS number
    121-98-2

    Molecular formula
    C9H10O3

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

    Retention indicies (RI)

    • DB5: 1371.0
    • Carbowax: 2063.33

  • Odor profile

    Sweet 81.28%
    Floral 69.7%
    Anisic 63.11%
    Fruity 60.7%
    Herbal 55.11%
    Vanilla 48.45%
    Cherry 48.44%
    Phenolic 42.38%
    Powdery 41.71%
    Spicy 41.14%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 48 °C

    Boiling point

    • 244.00 to 245.00 °C. @ 760.00 mm Hg

    Flash point est.
    105.16 ˚C

    Solubility expt.

    • 0.643 mg/mL at 20 °C
    • very slightly soluble in water; soluble in organic solvents, oils
    • soluble (in ethanol)

  • Synonyms

    • METHYL 4-METHOXYBENZOATE
    • 121-98-2
    • Methyl p-anisate
    • Methyl anisate
    • Benzoic acid, 4-methoxy-, methyl ester
    • Methyl p-methoxybenzoate
    • 4-Methoxybenzoic acid methyl ester
    • Methyl 4-Anisate
    • p-Anisic acid, methyl ester
    • p-Methoxybenzoic acid methyl ester
    • p-Anisic acid methyl ester
    • FEMA No. 2679
    • Benzoic acid, p-methoxy-, methyl ester
    • anisate
    • 4-methoxy methylbenzoate
    • NSC 7324
    • EINECS 204-513-2
    • BRN 2208571
    • DTXSID7047645
    • CHEBI:86903
    • AI3-00229
    • 2MFL7873W9
    • NSC-7324
    • MFCD00008437
    • METHYL ANISATE [FHFI]
    • CHEMBL1762668
    • DTXCID5027645
    • 4-methoxy-benzoic acid methyl ester
    • Methyl ester of p-Methoxybenzoic acid
    • METHYL SALICYLATE IMPURITY D [EP IMPURITY]
    • methyl4-methoxybenzoate
    • METHYL SALICYLATE IMPURITY D (EP IMPURITY)
    • Methyl panisate
    • UNII-2MFL7873W9
    • Methyl 4anisate
    • Methyl-p-anisate
    • FEMA 2679
    • Methyl pmethoxybenzoate
    • Methyl 4methoxybenzoate
    • Methyl p-anisate, 99%
    • bmse010016
    • pAnisic acid, methyl ester
    • WLN: 1OVR DO1
    • SCHEMBL231243
    • F1335-0002
    • METHYL-4-METHOXYBENZOATE
    • pMethoxybenzoic acid methyl ester
    • 4Methoxybenzoic acid methyl ester
    • NSC7324
    • Methyl p-anisate, >=99%, FG
    • Tox21_302682
    • AC7521
    • BDBM50340087
    • Benzoic acid, pmethoxy, methyl ester
    • STK041805
    • Benzoic acid, 4methoxy, methyl ester
    • AKOS000501135
    • AC-7084
    • CS-W016058
    • FM36573
    • HY-W015342
    • NCGC00256751-01
    • CAS-121-98-2
    • DS-13900
    • SY003911
    • DB-012814
    • A1125
    • NS00012845
    • EN300-107567
    • AQ-917/40232598
    • Q6823933
    • Z19787338
    • 204-513-2

  • Applications

    Methyl p-anisate (methyl 4-methoxybenzoate, CAS 121-98-2) is a fragrant ester with a soft, sweet balsamic scent; in the flavor-and-fragrance industry it serves as a fixative and base note in fine perfumes, a vanilla-musk nuance for cosmetics, and a flavour enhancer in foods, while in synthesis it functions as an intermediate for antimicrobial drugs, UV-absorbing agents, specialty dyes and engineering polymers, valued for its chemical stability, high purity and broad solvent compatibility.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.58
    methanol 63.86
    isopropanol 51.42
    water 0.87
    ethyl acetate 133.87
    n-propanol 51.55
    acetone 318.38
    n-butanol 42.98
    acetonitrile 187.42
    DMF 627.04
    toluene 48.48
    isobutanol 33.91
    1,4-dioxane 242.65
    methyl acetate 158.73
    THF 420.33
    2-butanone 189.04
    n-pentanol 45.37
    sec-butanol 55.2
    n-hexane 12.6
    ethylene glycol 34.04
    NMP 710.67
    cyclohexane 12.45
    DMSO 1173.46
    n-butyl acetate 118.9
    n-octanol 19.64
    chloroform 429.79
    n-propyl acetate 110.78
    acetic acid 202.52
    dichloromethane 577.51
    cyclohexanone 217.15
    propylene glycol 32.84
    isopropyl acetate 87.64
    DMAc 492.55
    2-ethoxyethanol 176.1
    isopentanol 44.45
    n-heptane 6.01
    ethyl formate 109.07
    1,2-dichloroethane 415.3
    n-hexanol 36.54
    2-methoxyethanol 213.77
    isobutyl acetate 51.77
    tetrachloromethane 77.04
    n-pentyl acetate 55.05
    transcutol 723.1
    n-heptanol 19.05
    ethylbenzene 51.05
    MIBK 89.58
    2-propoxyethanol 132.48
    tert-butanol 96.37
    MTBE 129.08
    2-butoxyethanol 71.73
    propionic acid 101.18
    o-xylene 56.72
    formic acid 140.66
    diethyl ether 130.26
    m-xylene 39.67
    p-xylene 54.64
    chlorobenzene 140.23
    dimethyl carbonate 132.06
    n-octane 1.85
    formamide 401.2
    cyclopentanone 387.39
    2-pentanone 145.2
    anisole 213.21
    cyclopentyl methyl ether 158.94
    gamma-butyrolactone 481.61
    1-methoxy-2-propanol 157.27
    pyridine 239.41
    3-pentanone 131.99
    furfural 525.6
    n-dodecane 1.38
    diethylene glycol 132.96
    diisopropyl ether 42.75
    tert-amyl alcohol 95.4
    acetylacetone 242.45
    n-hexadecane 1.68
    acetophenone 205.63
    methyl propionate 137.91
    isopentyl acetate 101.06
    trichloroethylene 827.07
    n-nonanol 19.18
    cyclohexanol 48.21
    benzyl alcohol 111.61
    2-ethylhexanol 30.19
    isooctanol 18.12
    dipropyl ether 59.45
    1,2-dichlorobenzene 184.08
    ethyl lactate 73.87
    propylene carbonate 217.05
    n-methylformamide 286.96
    2-pentanol 39.67
    n-pentane 8.49
    1-propoxy-2-propanol 99.37
    1-methoxy-2-propyl acetate 167.3
    2-(2-methoxypropoxy) propanol 151.03
    mesitylene 31.76
    ε-caprolactone 190.55
    p-cymene 32.94
    epichlorohydrin 622.38
    1,1,1-trichloroethane 286.99
    2-aminoethanol 54.11
    morpholine-4-carbaldehyde 513.55
    sulfolane 872.94
    2,2,4-trimethylpentane 8.42
    2-methyltetrahydrofuran 255.26
    n-hexyl acetate 76.86
    isooctane 5.0
    2-(2-butoxyethoxy)ethanol 154.78
    sec-butyl acetate 69.62
    tert-butyl acetate 149.53
    decalin 12.01
    glycerin 76.12
    diglyme 412.69
    acrylic acid 147.31
    isopropyl myristate 32.28
    n-butyric acid 89.95
    acetyl acetate 116.19
    di(2-ethylhexyl) phthalate 39.94
    ethyl propionate 106.77
    nitromethane 668.51
    1,2-diethoxyethane 178.79
    benzonitrile 132.58
    trioctyl phosphate 24.1
    1-bromopropane 128.93
    gamma-valerolactone 420.81
    n-decanol 13.81
    triethyl phosphate 75.39
    4-methyl-2-pentanol 26.03
    propionitrile 98.07
    vinylene carbonate 195.62
    1,1,2-trichlorotrifluoroethane 456.3
    DMS 148.72
    cumene 36.92
    2-octanol 13.58
    2-hexanone 118.88
    octyl acetate 40.55
    limonene 45.38
    1,2-dimethoxyethane 331.42
    ethyl orthosilicate 65.94
    tributyl phosphate 40.86
    diacetone alcohol 156.86
    N,N-dimethylaniline 148.27
    acrylonitrile 174.09
    aniline 103.15
    1,3-propanediol 69.75
    bromobenzene 145.67
    dibromomethane 326.16
    1,1,2,2-tetrachloroethane 547.14
    2-methyl-cyclohexyl acetate 91.02
    tetrabutyl urea 55.63
    diisobutyl methanol 24.0
    2-phenylethanol 90.34
    styrene 75.99
    dioctyl adipate 72.84
    dimethyl sulfate 346.12
    ethyl butyrate 101.0
    methyl lactate 102.28
    butyl lactate 56.83
    diethyl carbonate 85.48
    propanediol butyl ether 71.35
    triethyl orthoformate 82.0
    p-tert-butyltoluene 33.59
    methyl 4-tert-butylbenzoate 123.71
    morpholine 280.56
    tert-butylamine 57.96
    n-dodecanol 10.39
    dimethoxymethane 284.87
    ethylene carbonate 130.75
    cyrene 175.32
    2-ethoxyethyl acetate 125.44
    2-ethylhexyl acetate 84.01
    1,2,4-trichlorobenzene 228.82
    4-methylpyridine 203.22
    dibutyl ether 42.16
    2,6-dimethyl-4-heptanol 24.0
    DEF 224.43
    dimethyl isosorbide 288.85
    tetrachloroethylene 355.33
    eugenol 122.37
    triacetin 147.78
    span 80 82.87
    1,4-butanediol 37.65
    1,1-dichloroethane 254.13
    2-methyl-1-pentanol 48.49
    methyl formate 225.44
    2-methyl-1-butanol 44.9
    n-decane 2.54
    butyronitrile 81.52
    3,7-dimethyl-1-octanol 28.83
    1-chlorooctane 17.41
    1-chlorotetradecane 6.85
    n-nonane 2.43
    undecane 1.8
    tert-butylcyclohexane 10.62
    cyclooctane 5.31
    cyclopentanol 69.53
    tetrahydropyran 151.3
    tert-amyl methyl ether 112.52
    2,5,8-trioxanonane 278.6
    1-hexene 39.39
    2-isopropoxyethanol 115.87
    2,2,2-trifluoroethanol 144.5
    methyl butyrate 135.95

    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
Star anise (China) 1 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.6%
Star anise (China, Yunnan) 5 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.09%
Star anise (Vietnam) 1 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.01%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.16%
Easter Lily, Living Flower Headspace Lilium candidum L., fam. Liliaceae 9.5%
Star anise (China) 3 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.01%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Chaenomeles speciosa (Flowering Quince) Chaenameles speciosa Nakai, fam. Rosaceae 1.7%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.49%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 1.6%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.2%