Dihydroferulic Acid

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  • Identifiers

    CAS number
    1135-23-5

    Molecular formula
    C10H12O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 63.98%
    Sweet 53.04%
    Phenolic 48.47%
    Balsamic 46.87%
    Creamy 44.91%
    Odorless 37.57%
    Milky 37.33%
    Spicy 36.33%
    Powdery 33.15%
    Dairy 31.19%

     

    Flavor
    Sweet 70.04%
    Odorless 37.56%
    Phenolic 36.62%
    Mild 36.21%
    Creamy 35.69%
    Faint 32.1%
    Powdery 31.14%
    Vanilla 30.88%
    Caramel 28.74%
    Balsamic 28.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    9.06 (weak base)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    358°C

    Flash point

    • 171.31 ˚C est.

  • Synonyms

    • 1135-23-5
    • dihydroferulic acid
    • 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid
    • 3-(4-Hydroxy-3-methoxyphenyl)propionic acid
    • Dihydroconiferylic acid
    • Benzenepropanoic acid, 4-hydroxy-3-methoxy-
    • O01RNC700M
    • 3-(4-hydroxy-3-methoxy-phenyl)propanoic acid
    • CHEBI:86612
    • DTXSID90150427
    • RefChem:133817
    • DTXCID2072918
    • 214-489-5
    • Hydroferulic acid
    • 3-(4-Hydroxymethyl)propionic acid
    • MFCD00016558
    • Dihydro Ferulic Acid
    • .beta.-(4-Hydroxy-3-methoxyphenyl)propionic acid
    • UNII-O01RNC700M
    • Hydroferulic
    • dihyroferulic acid
    • EINECS 214-489-5
    • 4-Hydroxy-3-methoxybenzenepropanoic acid
    • 4-Hydroxy-3-methoxy-benzenepropanoic acid
    • 3-(3-methoxy-4-hydroxyphenyl)propanoic acid
    • Ferulic Acid Impurity 10
    • bmse010023
    • SCHEMBL347918
    • 3-METHOXYPHLORETIC ACID
    • CHEMBL387842
    • orb1310497
    • SCHEMBL29383405
    • EX-A13079C
    • HY-N7080
    • EBC-14276
    • s5135
    • SBB014922
    • STK662207
    • AKOS000166726
    • CCG-266549
    • DS-6102
    • b-3-Methoxy-4-hydroxyphenylpropionic acid
    • ST092339
    • SY048397
    • Benzenepropanoic acid, 4-hydroxy-3-methoxy
    • DB-021661
    • 4-HYDROXY-3-METHOXYHYDROCINNAMIC ACID
    • CS-0030749
    • H1180
    • NS00023690
    • 3-(4-hydroxy-3-methoxy-phenyl)propionic acid
    • 3-(4-hydroxy-3-methoxyphenyl) propionic acid
    • 3-(4-hydroxy-3-methoxyphenyl)-propionic acid
    • 3-(4-hydroxy-3-methoxy-phenyl)-propionic acid
    • 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid #
    • 3-METHOXY-4-HYDROXYPHENYLPROPIONIC ACID
    • A50645
    • EN300-111281
    • (4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID
    • F240154
    • HYDROCINNAMIC ACID, 4-HYDROXY-3-METHOXY-
    • .BETA.-3-METHOXY-4-HYDROXYPHENYLPROPIONIC ACID
    • Q10395564
    • F1905-6428
    • Z317038020
    • 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, >=96.0% (T)
    • 3-(4-hydroxy-3-methoxyphenyl)propanoic acid; Dihydroferulic acid
    • 1135-23-5

  • Applications

    Dihydroferulic Acid (CAS 1135-23-5) is used as a versatile synthetic intermediate and building block in organic synthesis. In cosmetics and personal care, it is employed as a phenolic antioxidant and can serve as a precursor for fragrance ingredients. In polymer and plastic formulations, it is used as an antioxidant/stabilizer to improve processing stability and aging resistance. In coatings and inks, it acts as a stabilizer/antioxidant to enhance longevity and color stability. In the flavor and fragrance industry, it is explored as a source compound for aroma chemicals. In pharmaceutical manufacturing, it provides a scaffold for the synthesis of phenolic derivatives used in drug discovery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 141.29
    methanol 245.03
    isopropanol 92.39
    water 2.89
    ethyl acetate 55.14
    n-propanol 68.04
    acetone 182.11
    n-butanol 56.31
    acetonitrile 28.56
    DMF 370.51
    toluene 9.28
    isobutanol 44.9
    1,4-dioxane 191.27
    methyl acetate 64.76
    THF 431.48
    2-butanone 62.68
    n-pentanol 53.79
    sec-butanol 52.07
    n-hexane 0.62
    ethylene glycol 151.41
    NMP 100.29
    cyclohexane 0.68
    DMSO 387.32
    n-butyl acetate 22.62
    n-octanol 27.7
    chloroform 11.33
    n-propyl acetate 32.72
    acetic acid 96.3
    dichloromethane 16.8
    cyclohexanone 70.09
    propylene glycol 128.73
    isopropyl acetate 32.33
    DMAc 267.56
    2-ethoxyethanol 237.63
    isopentanol 53.04
    n-heptane 1.31
    ethyl formate 55.46
    1,2-dichloroethane 19.17
    n-hexanol 46.44
    2-methoxyethanol 365.37
    isobutyl acetate 17.23
    tetrachloromethane 2.31
    n-pentyl acetate 18.36
    transcutol 134.07
    n-heptanol 29.27
    ethylbenzene 8.95
    MIBK 43.95
    2-propoxyethanol 133.42
    tert-butanol 285.09
    MTBE 48.74
    2-butoxyethanol 67.98
    propionic acid 50.91
    o-xylene 11.49
    formic acid 154.64
    diethyl ether 22.38
    m-xylene 12.28
    p-xylene 10.05
    chlorobenzene 8.39
    dimethyl carbonate 37.49
    n-octane 1.39
    formamide 249.43
    cyclopentanone 134.53
    2-pentanone 60.98
    anisole 45.09
    cyclopentyl methyl ether 50.92
    gamma-butyrolactone 148.41
    1-methoxy-2-propanol 211.46
    pyridine 34.07
    3-pentanone 25.55
    furfural 110.13
    n-dodecane 1.82
    diethylene glycol 188.01
    diisopropyl ether 8.04
    tert-amyl alcohol 117.0
    acetylacetone 93.88
    n-hexadecane 1.96
    acetophenone 41.64
    methyl propionate 53.59
    isopentyl acetate 24.98
    trichloroethylene 29.11
    n-nonanol 26.4
    cyclohexanol 41.13
    benzyl alcohol 52.38
    2-ethylhexanol 21.51
    isooctanol 24.42
    dipropyl ether 14.96
    1,2-dichlorobenzene 10.61
    ethyl lactate 40.38
    propylene carbonate 56.02
    n-methylformamide 176.1
    2-pentanol 34.15
    n-pentane 0.35
    1-propoxy-2-propanol 70.28
    1-methoxy-2-propyl acetate 50.18
    2-(2-methoxypropoxy) propanol 66.68
    mesitylene 8.89
    ε-caprolactone 60.07
    p-cymene 8.02
    epichlorohydrin 157.38
    1,1,1-trichloroethane 11.99
    2-aminoethanol 163.25
    morpholine-4-carbaldehyde 167.8
    sulfolane 187.8
    2,2,4-trimethylpentane 1.09
    2-methyltetrahydrofuran 96.67
    n-hexyl acetate 27.23
    isooctane 1.12
    2-(2-butoxyethoxy)ethanol 85.98
    sec-butyl acetate 20.11
    tert-butyl acetate 50.11
    decalin 1.5
    glycerin 205.83
    diglyme 133.6
    acrylic acid 46.25
    isopropyl myristate 15.67
    n-butyric acid 65.61
    acetyl acetate 27.84
    di(2-ethylhexyl) phthalate 20.25
    ethyl propionate 29.7
    nitromethane 189.3
    1,2-diethoxyethane 36.66
    benzonitrile 27.52
    trioctyl phosphate 16.62
    1-bromopropane 6.61
    gamma-valerolactone 177.74
    n-decanol 22.22
    triethyl phosphate 17.91
    4-methyl-2-pentanol 27.43
    propionitrile 24.46
    vinylene carbonate 48.69
    1,1,2-trichlorotrifluoroethane 95.0
    DMS 27.23
    cumene 8.38
    2-octanol 19.54
    2-hexanone 35.69
    octyl acetate 21.28
    limonene 10.45
    1,2-dimethoxyethane 230.92
    ethyl orthosilicate 16.0
    tributyl phosphate 16.77
    diacetone alcohol 119.5
    N,N-dimethylaniline 32.08
    acrylonitrile 39.55
    aniline 24.12
    1,3-propanediol 193.26
    bromobenzene 6.38
    dibromomethane 8.39
    1,1,2,2-tetrachloroethane 27.26
    2-methyl-cyclohexyl acetate 23.96
    tetrabutyl urea 28.76
    diisobutyl methanol 16.68
    2-phenylethanol 43.11
    styrene 9.01
    dioctyl adipate 24.57
    dimethyl sulfate 76.58
    ethyl butyrate 20.7
    methyl lactate 67.15
    butyl lactate 26.25
    diethyl carbonate 16.21
    propanediol butyl ether 61.17
    triethyl orthoformate 17.7
    p-tert-butyltoluene 8.64
    methyl 4-tert-butylbenzoate 45.23
    morpholine 208.65
    tert-butylamine 60.21
    n-dodecanol 18.33
    dimethoxymethane 207.86
    ethylene carbonate 39.66
    cyrene 72.09
    2-ethoxyethyl acetate 32.36
    2-ethylhexyl acetate 15.58
    1,2,4-trichlorobenzene 13.57
    4-methylpyridine 40.36
    dibutyl ether 15.92
    2,6-dimethyl-4-heptanol 16.68
    DEF 66.44
    dimethyl isosorbide 92.32
    tetrachloroethylene 15.52
    eugenol 50.71
    triacetin 34.48
    span 80 46.63
    1,4-butanediol 106.59
    1,1-dichloroethane 12.52
    2-methyl-1-pentanol 43.23
    methyl formate 154.67
    2-methyl-1-butanol 41.38
    n-decane 2.39
    butyronitrile 30.3
    3,7-dimethyl-1-octanol 25.06
    1-chlorooctane 9.21
    1-chlorotetradecane 5.14
    n-nonane 2.0
    undecane 2.08
    tert-butylcyclohexane 1.66
    cyclooctane 0.62
    cyclopentanol 63.03
    tetrahydropyran 53.56
    tert-amyl methyl ether 38.16
    2,5,8-trioxanonane 119.7
    1-hexene 4.0
    2-isopropoxyethanol 121.2
    2,2,2-trifluoroethanol 52.86
    methyl butyrate 44.25

    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