Sinapinic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7361-90-2

    Molecular formula
    C11H12O5

    SMILES
    COC1=CC(=CC(=C1O)OC)/C=C\C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 48.94%
    Odorless 46.16%
    Balsamic 43.41%
    Spicy 40.29%
    Phenolic 37.05%
    Sweet 34.0%
    Milky 31.77%
    Creamy 31.73%
    Caramellic 26.8%
    Burnt 26.73%

     

    Flavor
    Odorless 40.81%
    Sweet 28.1%
    Mild 26.02%
    Faint 24.97%
    Caramel 23.31%
    Creamy 22.96%
    Very mild 21.79%
    Powdery 21.67%
    Woody 20.85%
    Heliotropin 20.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.47 (weak base)

    Molecular weight
    224.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Flash point

    • 185.87 ˚C est.

  • Synonyms

    • EINECS 208-487-3
    • NSC 59261
    • synapitic acid
    • RefChem:886348
    • 3,5Dimethoxy4hydroxycinnamic acid
    • 4Hydroxy3,5dimethoxycinnamic acid
    • Sinapinic acid
    • cis-sinapic acid
    • Z-Sinapinic acid
    • cis-Sinapinic acid
    • Sinapic acid, (Z)-
    • UNII-64J2B0K41V
    • 7361-90-2
    • 64J2B0K41V
    • Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (Z)-
    • (2Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
    • 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (Z)-
    • 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2Z)-
    • 4-Hydroxy-3,5-dimethoxycinnamic acid
    • (Z)-sinapic acid
    • Sinapic acid, cis-
    • CHEBI:76350
    • DTXSID401316824
    • UNII-68A28V6010
    • cis-4-hydroxy-3,5-dimethoxycinnamic acid
    • (Z)-4-hydroxy-3,5-dimethoxycinnamic acid
    • 68A28V6010
    • Q27145906
    • C4BDC5A6-A425-46F0-B6EB-7957C46956DE
    • 7361-90-2

  • Applications

    Sinapinic acid, CAS 7361-90-2, is a hydroxycinnamic acid with several real-world applications across industries: it is used as a MALDI matrix for proteomics and analysis of large biomolecules; it serves as a building block or intermediate for the synthesis of other hydroxycinnamic derivatives, relevant to pharmaceutical and agrochemical chemistries; it occurs naturally in many plant sources and is used as a reference standard in natural product analysis and in studies of antioxidant activity; it may be evaluated for antioxidant applications in cosmetics and personal care formulations, potentially improving the stability of formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.16
    methanol 53.12
    isopropanol 7.23
    water 0.41
    ethyl acetate 14.25
    n-propanol 14.42
    acetone 56.12
    n-butanol 9.6
    acetonitrile 13.34
    DMF 148.1
    toluene 3.22
    isobutanol 7.72
    1,4-dioxane 50.63
    methyl acetate 21.87
    THF 174.81
    2-butanone 29.77
    n-pentanol 12.19
    sec-butanol 10.36
    n-hexane 0.34
    ethylene glycol 23.86
    NMP 64.83
    cyclohexane 0.59
    DMSO 565.47
    n-butyl acetate 10.43
    n-octanol 11.33
    chloroform 11.01
    n-propyl acetate 13.45
    acetic acid 25.67
    dichloromethane 19.81
    cyclohexanone 36.15
    propylene glycol 14.11
    isopropyl acetate 7.7
    DMAc 118.25
    2-ethoxyethanol 72.66
    isopentanol 9.62
    n-heptane 0.72
    ethyl formate 27.39
    1,2-dichloroethane 21.18
    n-hexanol 15.17
    2-methoxyethanol 110.29
    isobutyl acetate 5.91
    tetrachloromethane 2.49
    n-pentyl acetate 9.27
    transcutol 47.46
    n-heptanol 11.66
    ethylbenzene 3.87
    MIBK 12.01
    2-propoxyethanol 53.03
    tert-butanol 27.01
    MTBE 10.0
    2-butoxyethanol 29.05
    propionic acid 12.64
    o-xylene 4.55
    formic acid 47.55
    diethyl ether 7.61
    m-xylene 3.61
    p-xylene 4.53
    chlorobenzene 5.62
    dimethyl carbonate 15.12
    n-octane 0.68
    formamide 88.72
    cyclopentanone 77.2
    2-pentanone 19.51
    anisole 16.77
    cyclopentyl methyl ether 18.54
    gamma-butyrolactone 84.34
    1-methoxy-2-propanol 48.39
    pyridine 24.23
    3-pentanone 12.1
    furfural 64.51
    n-dodecane 0.91
    diethylene glycol 70.45
    diisopropyl ether 1.99
    tert-amyl alcohol 18.85
    acetylacetone 30.47
    n-hexadecane 1.0
    acetophenone 21.75
    methyl propionate 20.29
    isopentyl acetate 9.54
    trichloroethylene 29.27
    n-nonanol 10.97
    cyclohexanol 11.3
    benzyl alcohol 21.19
    2-ethylhexanol 8.94
    isooctanol 8.96
    dipropyl ether 6.35
    1,2-dichlorobenzene 7.25
    ethyl lactate 17.17
    propylene carbonate 24.3
    n-methylformamide 69.15
    2-pentanol 5.2
    n-pentane 0.26
    1-propoxy-2-propanol 23.75
    1-methoxy-2-propyl acetate 17.02
    2-(2-methoxypropoxy) propanol 27.29
    mesitylene 2.56
    ε-caprolactone 29.81
    p-cymene 4.02
    epichlorohydrin 92.87
    1,1,1-trichloroethane 8.32
    2-aminoethanol 27.5
    morpholine-4-carbaldehyde 71.13
    sulfolane 132.38
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 39.38
    n-hexyl acetate 12.8
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 35.87
    sec-butyl acetate 6.41
    tert-butyl acetate 12.63
    decalin 0.78
    glycerin 39.5
    diglyme 59.5
    acrylic acid 14.96
    isopropyl myristate 6.22
    n-butyric acid 15.08
    acetyl acetate 7.82
    di(2-ethylhexyl) phthalate 9.18
    ethyl propionate 11.49
    nitromethane 68.18
    1,2-diethoxyethane 14.37
    benzonitrile 15.55
    trioctyl phosphate 8.0
    1-bromopropane 6.0
    gamma-valerolactone 86.63
    n-decanol 8.82
    triethyl phosphate 9.87
    4-methyl-2-pentanol 5.13
    propionitrile 11.25
    vinylene carbonate 22.37
    1,1,2-trichlorotrifluoroethane 59.85
    DMS 12.56
    cumene 3.48
    2-octanol 7.35
    2-hexanone 15.78
    octyl acetate 9.22
    limonene 5.29
    1,2-dimethoxyethane 93.75
    ethyl orthosilicate 8.45
    tributyl phosphate 8.13
    diacetone alcohol 32.55
    N,N-dimethylaniline 13.59
    acrylonitrile 20.37
    aniline 10.5
    1,3-propanediol 37.12
    bromobenzene 4.28
    dibromomethane 10.65
    1,1,2,2-tetrachloroethane 23.91
    2-methyl-cyclohexyl acetate 11.5
    tetrabutyl urea 14.36
    diisobutyl methanol 5.69
    2-phenylethanol 20.01
    styrene 4.09
    dioctyl adipate 11.01
    dimethyl sulfate 36.55
    ethyl butyrate 9.66
    methyl lactate 23.32
    butyl lactate 11.78
    diethyl carbonate 8.2
    propanediol butyl ether 23.67
    triethyl orthoformate 8.2
    p-tert-butyltoluene 3.98
    methyl 4-tert-butylbenzoate 20.97
    morpholine 61.94
    tert-butylamine 8.42
    n-dodecanol 7.07
    dimethoxymethane 76.96
    ethylene carbonate 17.48
    cyrene 34.19
    2-ethoxyethyl acetate 15.57
    2-ethylhexyl acetate 6.89
    1,2,4-trichlorobenzene 8.74
    4-methylpyridine 20.63
    dibutyl ether 6.73
    2,6-dimethyl-4-heptanol 5.69
    DEF 30.71
    dimethyl isosorbide 41.57
    tetrachloroethylene 16.93
    eugenol 23.82
    triacetin 14.01
    span 80 19.04
    1,4-butanediol 18.89
    1,1-dichloroethane 8.08
    2-methyl-1-pentanol 11.1
    methyl formate 66.77
    2-methyl-1-butanol 8.69
    n-decane 1.21
    butyronitrile 11.21
    3,7-dimethyl-1-octanol 8.51
    1-chlorooctane 4.87
    1-chlorotetradecane 2.6
    n-nonane 0.97
    undecane 1.05
    tert-butylcyclohexane 0.7
    cyclooctane 0.38
    cyclopentanol 16.72
    tetrahydropyran 21.03
    tert-amyl methyl ether 9.25
    2,5,8-trioxanonane 50.12
    1-hexene 1.71
    2-isopropoxyethanol 34.05
    2,2,2-trifluoroethanol 17.91
    methyl butyrate 19.57

    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