4-Formyl-2-methoxyphenyl 2-hydroxypropanoate

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  • Identifiers

    CAS number
    930587-76-1

    Molecular formula
    C11H12O5

    SMILES
    CC(C(=O)OC1=C(C=C(C=C1)C=O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.88%
    Vanilla 65.43%
    Caramellic 61.55%
    Creamy 60.29%
    Milky 47.33%
    Buttery 41.06%
    Dairy 36.44%
    Powdery 33.98%
    Balsamic 30.33%
    Burnt 30.1%

     

    Flavor
    Odorless 35.76%
    Fruity 34.75%
    Creamy 34.22%
    Sweet 31.53%
    Caramel 27.03%
    Very mild 26.42%
    Mild 24.24%
    Powdery 23.27%
    Bland 22.14%
    Faint 21.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.17 (neutral)

    Molecular weight
    224.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Flash point

    • 157.63 ˚C est.

    Solubility expt.

    • Slightly soluble
    • Soluble (in ethanol)

  • Synonyms

    • Vanillyl lactate
    • 4-Formyl-2-methoxyphenyl 2-hydroxypropanoate
    • FEMA No. 4606
    • UNII-5GE271419N
    • vanillin lactate
    • 5GE271419N
    • 930587-76-1
    • Propanoic acid, 2-hydroxy-, 4-formyl-2-methoxyphenyl ester
    • (+-)-4-Formyl-2-methoxyphenyl 2-hydroxypropanoate
    • 4-Formyl-2-methoxyphenyl 2-hydroxypropanoate, (+-)-
    • DTXSID80918750
    • RefChem:99054
    • DTXCID301347696
    • propanoic acid, 2-hydroxy-, 4-formyl-2-methoxy phenyl ester
    • SCHEMBL3277719
    • SCHEMBL31053796
    • Q27262109
    • (+/-)-4-FORMYL-2-METHOXYPHENYL 2-HYDROXYPROPANOATE
    • 4-FORMYL-2-METHOXYPHENYL 2-HYDROXYPROPANOATE, (+/-)-
    • 930587-76-1

  • Applications

    4-Formyl-2-methoxyphenyl 2-hydroxypropanoate (CAS 930587-76-1) is an aryl lactic acid ester featuring a formyl- and methoxy-substituted phenyl ring. It is primarily used as a chemical synthesis intermediate with potential applications across several industries: as a fragrance/aroma ingredient in perfumery and cosmetics; as an intermediate in pharmaceutical and related chemical synthesis; in industrial manufacturing as a functional building block for organic synthesis; and potentially as a functional monomer or additive in polymer or coating formulations, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.92
    methanol 158.16
    isopropanol 43.63
    water 3.85
    ethyl acetate 87.25
    n-propanol 44.28
    acetone 211.81
    n-butanol 33.85
    acetonitrile 68.28
    DMF 276.35
    toluene 12.93
    isobutanol 25.92
    1,4-dioxane 123.22
    methyl acetate 117.95
    THF 206.91
    2-butanone 88.02
    n-pentanol 30.92
    sec-butanol 40.04
    n-hexane 0.79
    ethylene glycol 64.26
    NMP 205.85
    cyclohexane 2.15
    DMSO 567.68
    n-butyl acetate 35.59
    n-octanol 15.7
    chloroform 33.75
    n-propyl acetate 53.53
    acetic acid 196.53
    dichloromethane 76.48
    cyclohexanone 99.49
    propylene glycol 32.92
    isopropyl acetate 36.33
    DMAc 314.36
    2-ethoxyethanol 156.6
    isopentanol 32.56
    n-heptane 1.5
    ethyl formate 76.05
    1,2-dichloroethane 64.4
    n-hexanol 24.0
    2-methoxyethanol 238.2
    isobutyl acetate 22.27
    tetrachloromethane 3.47
    n-pentyl acetate 19.5
    transcutol 192.44
    n-heptanol 16.61
    ethylbenzene 13.93
    MIBK 34.78
    2-propoxyethanol 79.03
    tert-butanol 87.98
    MTBE 39.26
    2-butoxyethanol 48.96
    propionic acid 67.76
    o-xylene 17.1
    formic acid 254.21
    diethyl ether 32.37
    m-xylene 12.37
    p-xylene 18.41
    chlorobenzene 19.21
    dimethyl carbonate 63.45
    n-octane 1.14
    formamide 487.42
    cyclopentanone 153.33
    2-pentanone 60.37
    anisole 49.45
    cyclopentyl methyl ether 52.43
    gamma-butyrolactone 231.02
    1-methoxy-2-propanol 110.65
    pyridine 82.83
    3-pentanone 39.86
    furfural 185.47
    n-dodecane 1.14
    diethylene glycol 115.43
    diisopropyl ether 7.83
    tert-amyl alcohol 69.9
    acetylacetone 116.0
    n-hexadecane 1.28
    acetophenone 64.75
    methyl propionate 87.34
    isopentyl acetate 31.94
    trichloroethylene 99.31
    n-nonanol 15.42
    cyclohexanol 35.89
    benzyl alcohol 58.31
    2-ethylhexanol 16.39
    isooctanol 14.36
    dipropyl ether 16.9
    1,2-dichlorobenzene 22.22
    ethyl lactate 41.23
    propylene carbonate 85.52
    n-methylformamide 177.09
    2-pentanol 21.54
    n-pentane 0.76
    1-propoxy-2-propanol 44.65
    1-methoxy-2-propyl acetate 48.36
    2-(2-methoxypropoxy) propanol 58.32
    mesitylene 8.35
    ε-caprolactone 90.23
    p-cymene 9.45
    epichlorohydrin 191.66
    1,1,1-trichloroethane 19.2
    2-aminoethanol 72.07
    morpholine-4-carbaldehyde 196.83
    sulfolane 255.13
    2,2,4-trimethylpentane 1.12
    2-methyltetrahydrofuran 100.9
    n-hexyl acetate 27.05
    isooctane 0.57
    2-(2-butoxyethoxy)ethanol 69.58
    sec-butyl acetate 25.87
    tert-butyl acetate 42.62
    decalin 1.88
    glycerin 90.19
    diglyme 144.02
    acrylic acid 84.49
    isopropyl myristate 13.07
    n-butyric acid 67.15
    acetyl acetate 50.29
    di(2-ethylhexyl) phthalate 18.59
    ethyl propionate 42.87
    nitromethane 414.16
    1,2-diethoxyethane 44.62
    benzonitrile 41.07
    trioctyl phosphate 13.06
    1-bromopropane 15.47
    gamma-valerolactone 186.37
    n-decanol 12.62
    triethyl phosphate 23.81
    4-methyl-2-pentanol 14.1
    propionitrile 34.97
    vinylene carbonate 80.75
    1,1,2-trichlorotrifluoroethane 142.61
    DMS 44.1
    cumene 10.13
    2-octanol 10.61
    2-hexanone 41.03
    octyl acetate 17.09
    limonene 12.51
    1,2-dimethoxyethane 183.51
    ethyl orthosilicate 20.0
    tributyl phosphate 15.55
    diacetone alcohol 80.94
    N,N-dimethylaniline 37.72
    acrylonitrile 69.89
    aniline 37.35
    1,3-propanediol 91.12
    bromobenzene 15.56
    dibromomethane 32.09
    1,1,2,2-tetrachloroethane 63.26
    2-methyl-cyclohexyl acetate 29.69
    tetrabutyl urea 24.83
    diisobutyl methanol 11.85
    2-phenylethanol 38.88
    styrene 16.95
    dioctyl adipate 26.09
    dimethyl sulfate 118.56
    ethyl butyrate 30.73
    methyl lactate 59.19
    butyl lactate 24.32
    diethyl carbonate 26.65
    propanediol butyl ether 43.29
    triethyl orthoformate 24.19
    p-tert-butyltoluene 8.98
    methyl 4-tert-butylbenzoate 44.84
    morpholine 142.56
    tert-butylamine 26.67
    n-dodecanol 10.15
    dimethoxymethane 172.84
    ethylene carbonate 64.57
    cyrene 73.58
    2-ethoxyethyl acetate 40.89
    2-ethylhexyl acetate 21.45
    1,2,4-trichlorobenzene 30.99
    4-methylpyridine 66.61
    dibutyl ether 15.1
    2,6-dimethyl-4-heptanol 11.85
    DEF 96.15
    dimethyl isosorbide 89.86
    tetrachloroethylene 44.89
    eugenol 44.37
    triacetin 45.87
    span 80 35.78
    1,4-butanediol 40.61
    1,1-dichloroethane 25.25
    2-methyl-1-pentanol 30.27
    methyl formate 198.07
    2-methyl-1-butanol 29.39
    n-decane 1.7
    butyronitrile 30.51
    3,7-dimethyl-1-octanol 15.95
    1-chlorooctane 6.96
    1-chlorotetradecane 3.66
    n-nonane 1.46
    undecane 1.37
    tert-butylcyclohexane 1.4
    cyclooctane 1.0
    cyclopentanol 44.37
    tetrahydropyran 61.45
    tert-amyl methyl ether 37.75
    2,5,8-trioxanonane 105.57
    1-hexene 4.69
    2-isopropoxyethanol 82.79
    2,2,2-trifluoroethanol 98.08
    methyl butyrate 62.67

    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