p-Anisic acid

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  • Identifiers

    CAS number
    100-09-4

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 67.56%
    Sweet 63.33%
    Vanilla 57.05%
    Balsamic 47.91%
    Aromatic 42.3%
    Spicy 40.86%
    Powdery 39.45%
    Medicinal 39.28%
    Nutty 34.68%
    Creamy 34.5%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.95 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 185 °C

    Boiling point

    • 276.5 °C

    Flash point est.
    141.23 ˚C

    Solubility expt.

    • 530 mg/L (at 37 °C)
    • 0.53 mg/mL at 37 °C
    • soluble in boiling water, organic solvents
    • freely soluble (in ethanol)

  • Synonyms

    • 4-METHOXYBENZOIC ACID
    • p-Anisic acid
    • 100-09-4
    • ANISIC ACID
    • p-Methoxybenzoic acid
    • Benzoic acid, 4-methoxy-
    • Draconic acid
    • 4-Anisic acid
    • ANISIC ACID, PARA
    • para-anisic acid
    • 1335-08-6
    • Anisic acid, p-isomer
    • P-Methoxy Benzoic Acid
    • Kyselina 4-methoxybenzoova
    • MFCD00002542
    • 4-methoxy-benzoic acid
    • 4-Methoxy benzoic acid
    • UNII-4SB6Y7DMM3
    • EINECS 202-818-5
    • 4SB6Y7DMM3
    • NSC 32742
    • BRN 0508910
    • CHEBI:40813
    • AI3-00893
    • Methoxybenzoic acid
    • NSC-32742
    • DTXSID4059205
    • FEMA NO. 3945
    • 4-10-00-00346 (Beilstein Handbook Reference)
    • 4-Methoxybenzoic acid;Draconic acid
    • p-anisate
    • p-methoxybenzoate
    • ANN
    • 4-methoxybenzoicacid
    • Benzoic acid, methoxy-
    • Kyselina 4-methoxybenzoova [Czech]
    • anisoic acid
    • EINECS 215-618-8
    • 4-methoxylbenzoic acid
    • 1sv3
    • paramethoxy benzoic acid
    • P-ANISIC ACID,
    • 4-(methoxy)benzoic acid
    • p-Anisic acid (Standard)
    • 4-(methyloxy)benzoic acid
    • bmse000356
    • bmse010012
    • NCIOpen2_004706
    • P-ANISIC ACID [MI]
    • SCHEMBL43335
    • CHEMBL21932
    • DTXCID0032445
    • SCHEMBL12015259
    • HY-N1394R
    • p-Anisic acid, >=99%, FG
    • NSC7926
    • BDBM243072
    • HMS1760M22
    • HMS3604D05
    • HMS3746I21
    • p-Anisic acid, analytical standard
    • BCP29617
    • CS-B1766
    • HY-N1394
    • NSC-7926
    • NSC32742
    • STR02874
    • p-Anisic acid, natural, 99%, FG
    • AB2885
    • STK498216
    • 4-METHOXYBENZOIC ACID [FHFI]
    • AKOS000118883
    • DB02795
    • FM00503
    • PS-3382
    • NCGC00382881-02
    • AC-11353
    • BP-10768
    • SY001719
    • DB-023671
    • A0482
    • NS00013936
    • 4-Methoxybenzoic acid, ReagentPlus(R), 99%
    • Anisic acid-Melting point 183.5 degrees C
    • EN300-17433
    • C02519
    • p-Anisic acid, Vetec(TM) reagent grade, 98%
    • Anisic acid - Melting point 183.5 masculineC
    • AE-848/32075009
    • Q4566032
    • Melting point standard 182-184C, analytical standard
    • Z56931884
    • F1335-0001
    • 4-Methoxybenzoic acid, certified reference material, TraceCERT(R)
    • InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10
    • 202-818-5
    • 4-Methoxy-benzoic Acid; 4-Anisic acid; Anisic acid pound>>p-Anisic acid pound>>p-Methoxybenzoic acid

  • Applications

    p-Anisic acid, also called 4-methoxybenzoic acid (CAS 100-09-4), is an aromatic acid found in anise that sees broad use: in cosmetics it boosts preservative efficacy, fine-tunes pH, provides antimicrobial and antioxidant protection and imparts a soft sweet scent to creams, cleansers, serums and hair-care; in flavor and fragrance it acts as an anise flavor modifier and liqueur stabilizer; in specialty chemicals it is an intermediate for benzocaine, anthralin, azo dyes, UV filters, polymer UV stabilizers, polyester precursors and insect pheromones, and it is employed as an analytical reference and research reagent for conductive materials thanks to its reactive methoxy-substituted ring, low toxicity and good thermal stability.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.67
    methanol 39.13
    isopropanol 23.16
    water 1.22
    ethyl acetate 22.99
    n-propanol 23.85
    acetone 45.06
    n-butanol 21.26
    acetonitrile 9.41
    DMF 210.63
    toluene 2.61
    isobutanol 15.81
    1,4-dioxane 44.99
    methyl acetate 27.67
    THF 132.1
    2-butanone 33.62
    n-pentanol 20.01
    sec-butanol 23.69
    n-hexane 0.94
    ethylene glycol 14.68
    NMP 292.53
    cyclohexane 0.61
    DMSO 308.09
    n-butyl acetate 21.53
    n-octanol 6.77
    chloroform 5.88
    n-propyl acetate 19.65
    acetic acid 44.48
    dichloromethane 11.3
    cyclohexanone 41.51
    propylene glycol 21.32
    isopropyl acetate 18.05
    DMAc 206.48
    2-ethoxyethanol 70.23
    isopentanol 21.65
    n-heptane 0.8
    ethyl formate 17.18
    1,2-dichloroethane 15.86
    n-hexanol 15.61
    2-methoxyethanol 95.34
    isobutyl acetate 8.45
    tetrachloromethane 2.52
    n-pentyl acetate 12.15
    transcutol 332.34
    n-heptanol 8.43
    ethylbenzene 3.42
    MIBK 22.09
    2-propoxyethanol 54.51
    tert-butanol 41.3
    MTBE 30.83
    2-butoxyethanol 31.38
    propionic acid 28.01
    o-xylene 5.61
    formic acid 61.71
    diethyl ether 22.26
    m-xylene 3.72
    p-xylene 3.97
    chlorobenzene 6.52
    dimethyl carbonate 28.87
    n-octane 0.22
    formamide 135.16
    cyclopentanone 76.77
    2-pentanone 30.85
    anisole 29.6
    cyclopentyl methyl ether 40.23
    gamma-butyrolactone 97.69
    1-methoxy-2-propanol 80.86
    pyridine 22.81
    3-pentanone 22.99
    furfural 100.57
    n-dodecane 0.18
    diethylene glycol 62.01
    diisopropyl ether 8.03
    tert-amyl alcohol 45.5
    acetylacetone 44.04
    n-hexadecane 0.21
    acetophenone 34.58
    methyl propionate 29.72
    isopentyl acetate 20.67
    trichloroethylene 26.48
    n-nonanol 6.57
    cyclohexanol 14.1
    benzyl alcohol 24.02
    2-ethylhexanol 10.09
    isooctanol 7.13
    dipropyl ether 13.52
    1,2-dichlorobenzene 11.15
    ethyl lactate 23.14
    propylene carbonate 42.64
    n-methylformamide 75.22
    2-pentanol 17.53
    n-pentane 0.87
    1-propoxy-2-propanol 40.82
    1-methoxy-2-propyl acetate 48.82
    2-(2-methoxypropoxy) propanol 66.88
    mesitylene 3.39
    ε-caprolactone 43.8
    p-cymene 4.69
    epichlorohydrin 90.37
    1,1,1-trichloroethane 7.57
    2-aminoethanol 31.86
    morpholine-4-carbaldehyde 168.47
    sulfolane 195.04
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 65.24
    n-hexyl acetate 17.34
    isooctane 0.68
    2-(2-butoxyethoxy)ethanol 69.16
    sec-butyl acetate 14.31
    tert-butyl acetate 36.75
    decalin 0.86
    glycerin 50.08
    diglyme 146.42
    acrylic acid 36.62
    isopropyl myristate 7.72
    n-butyric acid 26.21
    acetyl acetate 16.98
    di(2-ethylhexyl) phthalate 12.49
    ethyl propionate 19.53
    nitromethane 94.96
    1,2-diethoxyethane 42.44
    benzonitrile 14.01
    trioctyl phosphate 7.32
    1-bromopropane 6.2
    gamma-valerolactone 105.0
    n-decanol 4.54
    triethyl phosphate 17.37
    4-methyl-2-pentanol 11.75
    propionitrile 9.66
    vinylene carbonate 31.14
    1,1,2-trichlorotrifluoroethane 78.95
    DMS 29.09
    cumene 3.63
    2-octanol 4.96
    2-hexanone 22.35
    octyl acetate 10.18
    limonene 7.53
    1,2-dimethoxyethane 88.02
    ethyl orthosilicate 15.64
    tributyl phosphate 11.07
    diacetone alcohol 63.38
    N,N-dimethylaniline 26.36
    acrylonitrile 16.01
    aniline 15.62
    1,3-propanediol 39.74
    bromobenzene 4.24
    dibromomethane 6.2
    1,1,2,2-tetrachloroethane 22.55
    2-methyl-cyclohexyl acetate 19.23
    tetrabutyl urea 16.98
    diisobutyl methanol 7.19
    2-phenylethanol 20.62
    styrene 4.4
    dioctyl adipate 18.26
    dimethyl sulfate 85.53
    ethyl butyrate 19.64
    methyl lactate 39.08
    butyl lactate 19.67
    diethyl carbonate 15.89
    propanediol butyl ether 37.81
    triethyl orthoformate 19.43
    p-tert-butyltoluene 4.95
    methyl 4-tert-butylbenzoate 35.86
    morpholine 68.57
    tert-butylamine 19.37
    n-dodecanol 3.11
    dimethoxymethane 81.77
    ethylene carbonate 21.3
    cyrene 74.38
    2-ethoxyethyl acetate 31.59
    2-ethylhexyl acetate 15.32
    1,2,4-trichlorobenzene 16.19
    4-methylpyridine 24.7
    dibutyl ether 8.51
    2,6-dimethyl-4-heptanol 7.19
    DEF 59.62
    dimethyl isosorbide 105.07
    tetrachloroethylene 16.89
    eugenol 37.45
    triacetin 38.96
    span 80 35.39
    1,4-butanediol 19.38
    1,1-dichloroethane 7.06
    2-methyl-1-pentanol 19.57
    methyl formate 46.37
    2-methyl-1-butanol 21.1
    n-decane 0.33
    butyronitrile 9.65
    3,7-dimethyl-1-octanol 9.05
    1-chlorooctane 2.43
    1-chlorotetradecane 0.93
    n-nonane 0.29
    undecane 0.23
    tert-butylcyclohexane 1.01
    cyclooctane 0.32
    cyclopentanol 24.31
    tetrahydropyran 24.58
    tert-amyl methyl ether 31.52
    2,5,8-trioxanonane 110.6
    1-hexene 3.52
    2-isopropoxyethanol 44.87
    2,2,2-trifluoroethanol 27.91
    methyl butyrate 25.34

    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
Anise (Egypt) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.26%
Anise (Turkey) 2 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.25%