trans-4-Methoxycinnamic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    830-09-1

    Molecular formula
    C10H10O3

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1774.0

  • Odor profile

    Balsamic 66.2%
    Sweet 62.64%
    Spicy 54.99%
    Vanilla 48.63%
    Phenolic 44.93%
    Cinnamon 40.97%
    Honey 36.81%
    Powdery 36.22%
    Aromatic 35.17%
    Warm 30.34%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    178.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Melting point expt.

    • 173 - 175 °C

    Flash point est.
    160.56 ˚C

    Solubility expt.

    • 0.712 mg/mL at 25 °C

  • Synonyms

    • 4-Methoxycinnamic acid
    • 830-09-1
    • 943-89-5
    • 3-(4-methoxyphenyl)acrylic acid
    • (E)-3-(4-Methoxyphenyl)acrylic acid
    • P-METHOXYCINNAMIC ACID
    • trans-4-Methoxycinnamic acid
    • (E)-3-(4-methoxyphenyl)prop-2-enoic acid
    • (2E)-3-(4-methoxyphenyl)prop-2-enoic acid
    • para-methoxycinnamic acid
    • 2-Propenoic acid, 3-(4-methoxyphenyl)-
    • Cinnamic acid, p-methoxy-
    • 3-(4-Methoxyphenyl)-2-propenoic acid
    • 4-Methoxycinnamate
    • MFCD00004398
    • O-Methyl-p-coumaric acid
    • 2-Propenoic acid, 3-(4-methoxyphenyl)-, (2E)-
    • Cinnamic acid, 4-methoxy-
    • 4-Methoxycinnamic acid, predominantly trans
    • (E)-3-(4-methoxyphenyl)-2-propenoic acid
    • Bernel hydro
    • METHOXYCINNAMIC ACID, PARA
    • (E)-p-Methoxycinnamic acid
    • (E)-4-METHOXYCINNAMIC ACID
    • p-methoxycinnamate
    • NSC-5303
    • NSC-623437
    • CHEMBL95770
    • 4-Methoxy-(2E)-cinnamic acid
    • DTXSID1046059
    • trans-2-Propenoic acid, 3-(4-methoxyphenyl)-
    • 6G4ML8401A
    • NCGC00159448-02
    • (E)-3-(4-Methoxy-phenyl)-acrylic acid
    • NSC 5303
    • EINECS 212-594-0
    • UNII-6G4ML8401A
    • AI3-23399
    • 4-Methoxycinnamicacid
    • 4-Methoxy cinnamic acid
    • PMCA
    • P-Methoxy ciannamic acid
    • trans-3-(4-Methoxyphenyl)acrylic acid
    • CHEBI:48541
    • p-MeOCinnamicAcid
    • K3Z
    • EINECS 213-405-4
    • para-methoxycinnamate
    • 4-Methoxy cinnamate
    • P-Methoxy ciannamate
    • O-Methyl-p-coumarate
    • p-MCA
    • trans-4-Methoxycinnamate
    • O-Methyl-p-cumaric Acid
    • TRANS-3-(4-METHOXYPHENYL)-2-PROPENOIC ACID
    • bmse010212
    • trans-4-methoxycinnamic-acid
    • 2-Propenoic acid, 3-(4-methoxyphenyl)-, (E)-
    • SCHEMBL58699
    • (E)-p-Methoxy-cinnamic acid
    • 30-09-1
    • MLS002473129
    • trans-4-methoxy-cinnamic acid
    • 4-Methoxycinnamic acid, trans-
    • 3-(4-Methoxy-phenyl)-acrylate
    • DTXCID9026059
    • AFDXODALSZRGIH-QPJJXVBHSA-
    • NSC5303
    • CHEBI:143736
    • HMS1783A08
    • HMS2267B19
    • (E)-3-(4-Methoxyphenyl)acrylate
    • 3-(4-methoxyphenyl)-2-Propenoate
    • AAA94389
    • ALBB-011726
    • BCP21420
    • HY-N1387
    • STR01310
    • Tox21_111674
    • BBL012085
    • BDBM50146453
    • NSC623437
    • STK005095
    • AKOS000118882
    • FM38609
    • PS-5777
    • (E)-3-(4-methoxyphenyl)-acrylic acid
    • NCGC00159448-03
    • NCGC00159448-04
    • AC-10371
    • CAS-943-89-5
    • DA-59571
    • SMR000112200
    • 4-Methoxycinnamic acid, >=98.0% (GC)
    • p-Methoxycinnamic acid, predominantly trans
    • CS-0016807
    • M0576
    • NS00013547
    • A10220
    • EN300-312690
    • G60885
    • SBI-0635112.0002
    • (2E)-3-(4-Methoxyphenyl)-2-propenoic acid #
    • 4-Methoxycinnamic acid, predominantly trans, 99%
    • A837404
    • AE-641/00135031
    • BRD-K26273521-001-07-3
    • Q63391599
    • Z56931888
    • F1638-0067
    • 0C546A89-9721-4B4E-89EE-7EC28A9A3391
    • InChI=1/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.25
    methanol 230.61
    isopropanol 91.66
    water 1.03
    ethyl acetate 79.11
    n-propanol 94.29
    acetone 74.17
    n-butanol 67.18
    acetonitrile 45.31
    DMF 150.71
    toluene 11.0
    isobutanol 46.01
    1,4-dioxane 216.7
    methyl acetate 94.58
    THF 205.97
    2-butanone 65.56
    n-pentanol 53.81
    sec-butanol 59.19
    n-hexane 0.17
    ethylene glycol 89.25
    NMP 48.34
    cyclohexane 0.46
    DMSO 146.9
    n-butyl acetate 28.92
    n-octanol 19.13
    chloroform 17.39
    n-propyl acetate 37.17
    acetic acid 84.97
    dichloromethane 26.03
    cyclohexanone 42.57
    propylene glycol 119.27
    isopropyl acetate 40.72
    DMAc 183.07
    2-ethoxyethanol 213.65
    isopentanol 47.57
    n-heptane 1.0
    ethyl formate 44.22
    1,2-dichloroethane 20.65
    n-hexanol 35.84
    2-methoxyethanol 346.18
    isobutyl acetate 23.39
    tetrachloromethane 1.73
    n-pentyl acetate 17.49
    transcutol 257.85
    n-heptanol 19.46
    ethylbenzene 7.02
    MIBK 33.22
    2-propoxyethanol 127.16
    tert-butanol 148.18
    MTBE 51.77
    2-butoxyethanol 57.38
    propionic acid 58.85
    o-xylene 10.66
    formic acid 94.27
    diethyl ether 40.89
    m-xylene 10.94
    p-xylene 8.97
    chlorobenzene 9.66
    dimethyl carbonate 42.02
    n-octane 0.85
    formamide 175.44
    cyclopentanone 58.03
    2-pentanone 42.38
    anisole 45.02
    cyclopentyl methyl ether 42.78
    gamma-butyrolactone 103.48
    1-methoxy-2-propanol 201.62
    pyridine 48.94
    3-pentanone 26.77
    furfural 86.97
    n-dodecane 1.41
    diethylene glycol 160.51
    diisopropyl ether 10.65
    tert-amyl alcohol 79.49
    acetylacetone 63.53
    n-hexadecane 1.52
    acetophenone 33.62
    methyl propionate 66.63
    isopentyl acetate 30.8
    trichloroethylene 36.38
    n-nonanol 19.64
    cyclohexanol 32.53
    benzyl alcohol 47.51
    2-ethylhexanol 18.37
    isooctanol 16.36
    dipropyl ether 20.53
    1,2-dichlorobenzene 10.83
    ethyl lactate 33.67
    propylene carbonate 46.5
    n-methylformamide 116.29
    2-pentanol 38.23
    n-pentane 0.26
    1-propoxy-2-propanol 70.98
    1-methoxy-2-propyl acetate 64.63
    2-(2-methoxypropoxy) propanol 72.53
    mesitylene 7.61
    ε-caprolactone 53.87
    p-cymene 8.12
    epichlorohydrin 140.32
    1,1,1-trichloroethane 12.38
    2-aminoethanol 140.74
    morpholine-4-carbaldehyde 156.89
    sulfolane 85.04
    2,2,4-trimethylpentane 0.95
    2-methyltetrahydrofuran 84.51
    n-hexyl acetate 26.23
    isooctane 0.93
    2-(2-butoxyethoxy)ethanol 92.45
    sec-butyl acetate 27.56
    tert-butyl acetate 50.37
    decalin 1.22
    glycerin 166.03
    diglyme 157.83
    acrylic acid 48.97
    isopropyl myristate 15.97
    n-butyric acid 62.6
    acetyl acetate 38.94
    di(2-ethylhexyl) phthalate 18.26
    ethyl propionate 35.1
    nitromethane 145.22
    1,2-diethoxyethane 71.22
    benzonitrile 25.54
    trioctyl phosphate 12.82
    1-bromopropane 8.17
    gamma-valerolactone 131.01
    n-decanol 16.78
    triethyl phosphate 21.15
    4-methyl-2-pentanol 23.77
    propionitrile 39.37
    vinylene carbonate 41.99
    1,1,2-trichlorotrifluoroethane 83.64
    DMS 34.48
    cumene 6.94
    2-octanol 12.82
    2-hexanone 31.31
    octyl acetate 20.0
    limonene 10.12
    1,2-dimethoxyethane 191.61
    ethyl orthosilicate 20.71
    tributyl phosphate 15.82
    diacetone alcohol 88.06
    N,N-dimethylaniline 28.33
    acrylonitrile 50.83
    aniline 33.6
    1,3-propanediol 162.22
    bromobenzene 7.18
    dibromomethane 9.78
    1,1,2,2-tetrachloroethane 30.29
    2-methyl-cyclohexyl acetate 27.44
    tetrabutyl urea 25.03
    diisobutyl methanol 14.99
    2-phenylethanol 37.14
    styrene 8.11
    dioctyl adipate 26.66
    dimethyl sulfate 55.83
    ethyl butyrate 28.94
    methyl lactate 59.39
    butyl lactate 23.42
    diethyl carbonate 23.73
    propanediol butyl ether 52.67
    triethyl orthoformate 26.66
    p-tert-butyltoluene 8.89
    methyl 4-tert-butylbenzoate 39.7
    morpholine 251.84
    tert-butylamine 45.35
    n-dodecanol 14.19
    dimethoxymethane 173.15
    ethylene carbonate 36.22
    cyrene 60.8
    2-ethoxyethyl acetate 42.88
    2-ethylhexyl acetate 20.89
    1,2,4-trichlorobenzene 16.25
    4-methylpyridine 42.37
    dibutyl ether 21.45
    2,6-dimethyl-4-heptanol 14.99
    DEF 52.16
    dimethyl isosorbide 104.93
    tetrachloroethylene 14.51
    eugenol 45.57
    triacetin 40.13
    span 80 44.86
    1,4-butanediol 69.74
    1,1-dichloroethane 15.01
    2-methyl-1-pentanol 37.3
    methyl formate 84.42
    2-methyl-1-butanol 41.33
    n-decane 1.79
    butyronitrile 36.13
    3,7-dimethyl-1-octanol 19.79
    1-chlorooctane 7.53
    1-chlorotetradecane 4.67
    n-nonane 1.38
    undecane 1.6
    tert-butylcyclohexane 1.47
    cyclooctane 0.4
    cyclopentanol 42.76
    tetrahydropyran 70.93
    tert-amyl methyl ether 38.45
    2,5,8-trioxanonane 139.12
    1-hexene 2.13
    2-isopropoxyethanol 104.79
    2,2,2-trifluoroethanol 32.8
    methyl butyrate 41.17

    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
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.05%