P-Anisidine

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  • Identifiers

    CAS number
    104-94-9

    Molecular formula
    C7H9NO

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 77.88%
    Phenolic 54.1%
    Floral 53.03%
    Vanilla 38.59%
    Animal 38.45%
    Anisic 37.37%
    Powdery 37.01%
    Hawthorn 35.33%
    Smoky 33.96%
    Musty 33.3%

     

    Flavor
    Sweet 75.26%
    Phenolic 57.97%
    Floral 46.85%
    Powdery 41.11%
    Spicy 37.71%
    Medicinal 35.53%
    Anise 34.01%
    Bitter 33.56%
    Vanilla 32.83%
    Hawthorn 31.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    4.45 (weak acid)

    Molecular weight
    123.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 135 °F (NTP, 1992)
    • 57.2 °C
    • 57 °C
    • 135 °F

    Boiling point

    • 469 °F at 760 mmHg (NTP, 1992)
    • 243 °C
    • 243.00 °C. @ 760.00 mm Hg
    • 475 °F

    Flash point

    • 100.02 ˚C est.
    • 41 °F (NTP, 1992)
    • 5 °C
    • 122 °C (251.6 °F) (closed cup)
    • 122 °C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Soluble in acetone, benzene; very soluble in ether, ethanol
    • In water, 2.10X10+4 mg/L at 20 °C
    • 21 mg/mL at 20 °C
    • Solubility in water, g/100ml at 20 °C: 2.2 (moderate)
    • Moderate

  • Synonyms

    • p-Anisidine
    • 4-Methoxyaniline
    • 104-94-9
    • 4-Anisidine
    • 4-Methoxybenzenamine
    • 4-Aminoanisole
    • p-Methoxyaniline
    • Benzenamine, 4-methoxy-
    • para-Anisidine
    • Anisidine
    • p-Aminoanisole
    • p-Anisylamine
    • 4-Methoxybenzeneamine
    • p-Methoxyphenylamine
    • 1-Amino-4-methoxybenzene
    • Anisole, p-amino-
    • p-Dianisidine
    • Aniline, p-methoxy-
    • 4-Methoxy-1-aminobenzene
    • Aniline, 4-methoxy-
    • 4-Methoxy-phenylamine
    • Anisidine, p-
    • 4-methoxyphenylamine
    • NSC 7921
    • 4-methoxy-benzenamine
    • CCRIS 917
    • 4methoxyaniline
    • DTXSID7024532
    • HSDB 1603
    • 4-METHOXY-ANILINE
    • p-Amino-Anisole
    • p-methoxy-aniline
    • EINECS 203-254-2
    • UNII-575917SNR4
    • CHEBI:82388
    • AI3-02392
    • (4-methoxyphenyl)-amine
    • NSC-7921
    • MFCD00007864
    • P-ANISIDINE [HSDB]
    • DTXCID104532
    • 4-(Methoxy-d3)aniline hydrochloride
    • 575917SNR4
    • 1-Methoxy-4-amino-benzen (p-anisidin)
    • 1-Methoxy-4-amino-benzene / p-anisidine
    • p-Anisidina
    • para-Aminoanisole
    • CAS-104-94-9
    • paraanisidine
    • pAminoanisole
    • pDianisidine
    • pMethoxyaniline
    • 4aminoanisole
    • para anisidine
    • rho-anisidine
    • 4anisidine
    • beta-Anisidine
    • p-anisidin
    • beta -anisidine
    • Anisole, pamino
    • 4-Amino-anisole
    • 4-methoxylaniline
    • p-methoxy aniline
    • Aniline, pmethoxy
    • pMethoxyphenylamine
    • Anisole, p-amino
    • 4-methoxy aniline
    • para-methoxyaniline
    • 4Methoxybenzenamine
    • Aniline, 4methoxy
    • 4Methoxybenzeneamine
    • 4methoxy-phenylamine
    • para-methoxy aniline
    • p-methoxyphenyl amine
    • 1Amino4methoxybenzene
    • 4Methoxy1aminobenzene
    • p-Methoxy phenylamine
    • 4-(methyloxy)aniline
    • Benzenamine, 4methoxy
    • (4-methoxyphenyl)amine
    • 4-methoxy phenyl amine
    • 4-methoxy-phenyl amine
    • p-Anisidina (Spanish)
    • 4-amino-1-methoxybenzene
    • p-Anisidine, >=99%
    • 1,4-ANISIDINE
    • P-AMINOMETHOXYBENZENE
    • SCHEMBL5097
    • WLN: ZR DO1
    • 4-AMINOMETHOXYBENZENE
    • p-Anisidine (ACGIH:OSHA)
    • 4-Anisidine;4-Methoxyaniline
    • BIDD:GT0008
    • CHEMBL295652
    • Benzenamine, 4-methoxy-(9CI)
    • NSC7921
    • HMS1757G11
    • METHYL 4-AMINOPHENYL ETHER
    • BCP26755
    • STR00220
    • Tox21_202437
    • Tox21_303039
    • AC-565
    • STK258849
    • AKOS000100571
    • FA34313
    • NCGC00091136-01
    • NCGC00091136-03
    • NCGC00091136-04
    • NCGC00257099-01
    • NCGC00259986-01
    • BP-12035
    • CI 37115
    • A0487
    • A0802
    • CS-0015840
    • NS00020559
    • EN300-17444
    • A15088
    • C19326
    • AC-907/25014180
    • Q3333299
    • Z56938150
    • F2190-0441
    • 203-254-2
    • O8U

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 304.63
    methanol 226.5
    isopropanol 164.88
    water 10.12
    ethyl acetate 238.37
    n-propanol 213.4
    acetone 141.52
    n-butanol 168.18
    acetonitrile 350.32
    DMF 193.3
    toluene 45.06
    isobutanol 107.76
    1,4-dioxane 556.4
    methyl acetate 222.37
    THF 420.1
    2-butanone 146.58
    n-pentanol 91.9
    sec-butanol 112.21
    n-hexane 1.94
    ethylene glycol 108.0
    NMP 110.8
    cyclohexane 8.98
    DMSO 359.43
    n-butyl acetate 71.82
    n-octanol 39.62
    chloroform 346.85
    n-propyl acetate 68.21
    acetic acid 344.08
    dichloromethane 443.16
    cyclohexanone 135.78
    propylene glycol 113.86
    isopropyl acetate 66.51
    DMAc 190.37
    2-ethoxyethanol 223.74
    isopentanol 92.12
    n-heptane 8.37
    ethyl formate 216.42
    1,2-dichloroethane 168.77
    n-hexanol 95.27
    2-methoxyethanol 404.11
    isobutyl acetate 33.73
    tetrachloromethane 47.89
    n-pentyl acetate 34.6
    transcutol 310.55
    n-heptanol 44.66
    ethylbenzene 15.81
    MIBK 41.28
    2-propoxyethanol 184.28
    tert-butanol 190.78
    MTBE 81.56
    2-butoxyethanol 94.07
    propionic acid 195.5
    o-xylene 29.53
    formic acid 196.27
    diethyl ether 120.05
    m-xylene 27.31
    p-xylene 23.08
    chlorobenzene 70.85
    dimethyl carbonate 63.09
    n-octane 3.22
    formamide 313.56
    cyclopentanone 171.98
    2-pentanone 94.13
    anisole 75.53
    cyclopentyl methyl ether 100.22
    gamma-butyrolactone 291.59
    1-methoxy-2-propanol 211.57
    pyridine 251.37
    3-pentanone 71.25
    furfural 255.22
    n-dodecane 3.28
    diethylene glycol 171.81
    diisopropyl ether 17.93
    tert-amyl alcohol 113.51
    acetylacetone 109.85
    n-hexadecane 3.56
    acetophenone 55.59
    methyl propionate 141.18
    isopentyl acetate 49.03
    trichloroethylene 311.94
    n-nonanol 35.64
    cyclohexanol 87.42
    benzyl alcohol 67.16
    2-ethylhexanol 45.52
    isooctanol 29.27
    dipropyl ether 65.74
    1,2-dichlorobenzene 58.01
    ethyl lactate 40.94
    propylene carbonate 138.08
    n-methylformamide 225.93
    2-pentanol 66.53
    n-pentane 3.84
    1-propoxy-2-propanol 97.95
    1-methoxy-2-propyl acetate 85.06
    2-(2-methoxypropoxy) propanol 75.55
    mesitylene 14.98
    ε-caprolactone 137.76
    p-cymene 17.3
    epichlorohydrin 361.67
    1,1,1-trichloroethane 137.59
    2-aminoethanol 187.97
    morpholine-4-carbaldehyde 247.18
    sulfolane 193.74
    2,2,4-trimethylpentane 3.34
    2-methyltetrahydrofuran 242.68
    n-hexyl acetate 47.07
    isooctane 2.18
    2-(2-butoxyethoxy)ethanol 107.64
    sec-butyl acetate 35.99
    tert-butyl acetate 57.06
    decalin 3.98
    glycerin 169.28
    diglyme 225.8
    acrylic acid 172.63
    isopropyl myristate 21.6
    n-butyric acid 245.15
    acetyl acetate 132.19
    di(2-ethylhexyl) phthalate 25.9
    ethyl propionate 60.77
    nitromethane 548.82
    1,2-diethoxyethane 100.92
    benzonitrile 77.18
    trioctyl phosphate 18.68
    1-bromopropane 72.23
    gamma-valerolactone 277.28
    n-decanol 27.18
    triethyl phosphate 34.66
    4-methyl-2-pentanol 30.34
    propionitrile 195.38
    vinylene carbonate 148.68
    1,1,2-trichlorotrifluoroethane 213.68
    DMS 43.62
    cumene 13.02
    2-octanol 22.39
    2-hexanone 51.68
    octyl acetate 30.57
    limonene 26.22
    1,2-dimethoxyethane 263.69
    ethyl orthosilicate 36.31
    tributyl phosphate 22.83
    diacetone alcohol 79.03
    N,N-dimethylaniline 40.3
    acrylonitrile 227.49
    aniline 102.37
    1,3-propanediol 235.05
    bromobenzene 62.18
    dibromomethane 196.66
    1,1,2,2-tetrachloroethane 191.09
    2-methyl-cyclohexyl acetate 43.95
    tetrabutyl urea 28.75
    diisobutyl methanol 23.63
    2-phenylethanol 63.62
    styrene 23.04
    dioctyl adipate 36.83
    dimethyl sulfate 83.02
    ethyl butyrate 70.15
    methyl lactate 71.31
    butyl lactate 29.41
    diethyl carbonate 54.49
    propanediol butyl ether 63.46
    triethyl orthoformate 51.92
    p-tert-butyltoluene 16.97
    methyl 4-tert-butylbenzoate 52.39
    morpholine 536.98
    tert-butylamine 89.19
    n-dodecanol 21.74
    dimethoxymethane 178.39
    ethylene carbonate 133.6
    cyrene 71.2
    2-ethoxyethyl acetate 64.42
    2-ethylhexyl acetate 36.96
    1,2,4-trichlorobenzene 70.9
    4-methylpyridine 146.7
    dibutyl ether 37.09
    2,6-dimethyl-4-heptanol 23.63
    DEF 122.63
    dimethyl isosorbide 121.11
    tetrachloroethylene 121.8
    eugenol 55.46
    triacetin 59.48
    span 80 63.21
    1,4-butanediol 81.32
    1,1-dichloroethane 147.78
    2-methyl-1-pentanol 61.82
    methyl formate 174.03
    2-methyl-1-butanol 88.35
    n-decane 4.99
    butyronitrile 163.68
    3,7-dimethyl-1-octanol 31.73
    1-chlorooctane 18.92
    1-chlorotetradecane 8.65
    n-nonane 4.4
    undecane 3.89
    tert-butylcyclohexane 3.88
    cyclooctane 3.15
    cyclopentanol 115.16
    tetrahydropyran 281.7
    tert-amyl methyl ether 55.6
    2,5,8-trioxanonane 162.25
    1-hexene 10.88
    2-isopropoxyethanol 106.16
    2,2,2-trifluoroethanol 124.25
    methyl butyrate 80.91

    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