Vanillin acetate

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  • Identifiers

    CAS number
    881-68-5

    Molecular formula
    C10H10O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Vanilla 75.65%
    Sweet 74.12%
    Floral 62.12%
    Powdery 55.61%
    Creamy 54.69%
    Spicy 48.55%
    Balsamic 48.37%
    Phenolic 44.54%
    Woody 41.43%
    Caramellic 37.07%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    194.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 77 - 79 °C

    Boiling point

    • 287.00 to 288.00 °C. @ 760.00 mm Hg

    Flash point est.
    131.17 ˚C

    Solubility expt.

    • slightly
    • slightly soluble in water; soluble in organic solvents, oils
    • soluble (in ethanol)

  • Synonyms

    • Vanillin acetate
    • 881-68-5
    • 4-Formyl-2-methoxyphenyl acetate
    • 4-Acetoxy-3-methoxybenzaldehyde
    • Acetylvanillin
    • Acetovanillin
    • Vanillin, acetate
    • 4-O-Acetylvanillin
    • O-Acetylvanillin
    • BENZALDEHYDE, 4-(ACETYLOXY)-3-METHOXY-
    • (4-formyl-2-methoxyphenyl) acetate
    • 3-methoxy-4-acetoxybenzaldehyde
    • FEMA No. 3108
    • vanillyl acetate
    • 4-Formyl-2-methoxyphenol acetate
    • 4-(Acetyloxy)-3-methoxybenzaldehyde
    • UNII-873YNA60FY
    • 873YNA60FY
    • Benzaldehyde, 4-acetoxy-3-methoxy
    • NSC 8499
    • NSC-8499
    • EINECS 212-920-1
    • MFCD00003362
    • NSC 25863
    • NSC-25863
    • VANILLIN ACETATE [FHFI]
    • CHEMBL5201508
    • DTXSID4061256
    • CHEBI:86956
    • Vanillinacetate
    • Vanillin acetate?
    • Vanillin acetate, 98%
    • 4-Acetoxy-m-anisaldehyde
    • METHOXYBENZALDEHYDE,
    • bmse010102
    • SCHEMBL81717
    • DTXCID0048630
    • FEMA 3108
    • NSC8499
    • Vanillin acetate, >=98%, FG
    • 4-formyl-2-methoxy phenyl acetate
    • ALBB-001408
    • NSC25863
    • STR04948
    • AC8433
    • BBL013704
    • BDBM50600404
    • s3976
    • STK397377
    • AKOS000120693
    • CCG-266532
    • CS-W010664
    • FA71248
    • HY-W009948
    • SY017005
    • DB-031946
    • acetic acid 4-formyl-2-methoxy-phenyl ester
    • NS00022863
    • V0104
    • EN300-18411
    • Q27159292
    • Z57887888
    • Vanillin acetate;4-Formyl-2-methoxyphenylacetate;4-Acetylvanillin
    • 4736-37-2

  • Applications

    Vanillin acetate (CAS 881-68-5) is the acetate ester of vanillin and is widely used as a flavor-fragrance ingredient in food to impart a soft vanilla tone, suppress bitterness and stabilize aroma under heat, as an intermediate for compounded flavors in candies, baked goods, beverages and dairy products; in cosmetics and perfumery it lends warm sweet notes, rounds off complex accords, extends scent longevity and masks technical off-odors; in pharmaceuticals it enhances palatability of syrups, lozenges and topical creams, acting as a taste-masking excipient that supports patient compliance; in organic synthesis and flavor chemistry it serves as an intermediate for the preparation of vanilloid derivatives, antioxidants and other bioactive compounds, as well as an analytical standard for GC/MS and HPLC; it is also explored as a building block for advanced biopolymer materials and microencapsulated flavor systems.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.92
    methanol 96.38
    isopropanol 28.9
    water 2.07
    ethyl acetate 109.09
    n-propanol 25.64
    acetone 223.44
    n-butanol 21.13
    acetonitrile 140.07
    DMF 266.22
    toluene 32.05
    isobutanol 18.56
    1,4-dioxane 191.94
    methyl acetate 164.24
    THF 244.36
    2-butanone 105.22
    n-pentanol 24.11
    sec-butanol 23.08
    n-hexane 2.08
    ethylene glycol 39.06
    NMP 243.85
    cyclohexane 3.12
    DMSO 412.31
    n-butyl acetate 60.46
    n-octanol 21.81
    chloroform 124.69
    n-propyl acetate 79.35
    acetic acid 108.77
    dichloromethane 236.58
    cyclohexanone 123.63
    propylene glycol 17.34
    isopropyl acetate 51.46
    DMAc 315.04
    2-ethoxyethanol 101.0
    isopentanol 22.68
    n-heptane 2.81
    ethyl formate 112.12
    1,2-dichloroethane 148.31
    n-hexanol 23.64
    2-methoxyethanol 151.56
    isobutyl acetate 44.11
    tetrachloromethane 10.56
    n-pentyl acetate 30.9
    transcutol 131.2
    n-heptanol 16.35
    ethylbenzene 30.93
    MIBK 43.09
    2-propoxyethanol 76.78
    tert-butanol 65.84
    MTBE 43.36
    2-butoxyethanol 40.84
    propionic acid 55.52
    o-xylene 33.38
    formic acid 83.15
    diethyl ether 48.96
    m-xylene 28.75
    p-xylene 43.38
    chlorobenzene 56.26
    dimethyl carbonate 78.21
    n-octane 2.22
    formamide 157.92
    cyclopentanone 191.67
    2-pentanone 67.18
    anisole 87.07
    cyclopentyl methyl ether 68.35
    gamma-butyrolactone 261.51
    1-methoxy-2-propanol 70.67
    pyridine 116.11
    3-pentanone 60.52
    furfural 238.12
    n-dodecane 3.19
    diethylene glycol 96.51
    diisopropyl ether 13.46
    tert-amyl alcohol 42.94
    acetylacetone 128.38
    n-hexadecane 3.66
    acetophenone 90.96
    methyl propionate 104.31
    isopentyl acetate 49.6
    trichloroethylene 221.1
    n-nonanol 21.27
    cyclohexanol 30.32
    benzyl alcohol 64.09
    2-ethylhexanol 21.92
    isooctanol 15.38
    dipropyl ether 32.23
    1,2-dichlorobenzene 60.95
    ethyl lactate 47.63
    propylene carbonate 122.99
    n-methylformamide 147.6
    2-pentanol 15.32
    n-pentane 1.3
    1-propoxy-2-propanol 45.64
    1-methoxy-2-propyl acetate 63.82
    2-(2-methoxypropoxy) propanol 62.64
    mesitylene 17.2
    ε-caprolactone 111.67
    p-cymene 20.3
    epichlorohydrin 281.52
    1,1,1-trichloroethane 79.69
    2-aminoethanol 34.39
    morpholine-4-carbaldehyde 228.39
    sulfolane 271.06
    2,2,4-trimethylpentane 1.85
    2-methyltetrahydrofuran 119.46
    n-hexyl acetate 45.02
    isooctane 1.25
    2-(2-butoxyethoxy)ethanol 63.8
    sec-butyl acetate 45.18
    tert-butyl acetate 56.61
    decalin 4.89
    glycerin 46.1
    diglyme 134.47
    acrylic acid 64.51
    isopropyl myristate 24.63
    n-butyric acid 58.53
    acetyl acetate 78.37
    di(2-ethylhexyl) phthalate 29.02
    ethyl propionate 73.31
    nitromethane 325.34
    1,2-diethoxyethane 57.47
    benzonitrile 80.46
    trioctyl phosphate 20.26
    1-bromopropane 43.91
    gamma-valerolactone 220.71
    n-decanol 18.28
    triethyl phosphate 41.74
    4-methyl-2-pentanol 13.01
    propionitrile 75.23
    vinylene carbonate 129.34
    1,1,2-trichlorotrifluoroethane 131.88
    DMS 73.52
    cumene 22.42
    2-octanol 13.75
    2-hexanone 64.75
    octyl acetate 30.54
    limonene 24.68
    1,2-dimethoxyethane 213.33
    ethyl orthosilicate 35.04
    tributyl phosphate 26.55
    diacetone alcohol 68.22
    N,N-dimethylaniline 62.2
    acrylonitrile 119.66
    aniline 51.76
    1,3-propanediol 48.82
    bromobenzene 54.86
    dibromomethane 111.42
    1,1,2,2-tetrachloroethane 143.35
    2-methyl-cyclohexyl acetate 48.79
    tetrabutyl urea 38.25
    diisobutyl methanol 16.21
    2-phenylethanol 47.96
    styrene 36.78
    dioctyl adipate 41.15
    dimethyl sulfate 136.29
    ethyl butyrate 59.99
    methyl lactate 56.11
    butyl lactate 27.95
    diethyl carbonate 55.25
    propanediol butyl ether 36.12
    triethyl orthoformate 42.92
    p-tert-butyltoluene 18.47
    methyl 4-tert-butylbenzoate 59.03
    morpholine 155.94
    tert-butylamine 26.46
    n-dodecanol 15.81
    dimethoxymethane 174.43
    ethylene carbonate 101.98
    cyrene 82.24
    2-ethoxyethyl acetate 52.2
    2-ethylhexyl acetate 40.48
    1,2,4-trichlorobenzene 70.25
    4-methylpyridine 114.61
    dibutyl ether 29.01
    2,6-dimethyl-4-heptanol 16.21
    DEF 107.97
    dimethyl isosorbide 108.75
    tetrachloroethylene 80.46
    eugenol 59.53
    triacetin 63.39
    span 80 38.08
    1,4-butanediol 25.3
    1,1-dichloroethane 95.0
    2-methyl-1-pentanol 26.06
    methyl formate 192.91
    2-methyl-1-butanol 20.17
    n-decane 4.46
    butyronitrile 58.67
    3,7-dimethyl-1-octanol 23.09
    1-chlorooctane 17.66
    1-chlorotetradecane 9.81
    n-nonane 3.79
    undecane 3.73
    tert-butylcyclohexane 4.2
    cyclooctane 1.43
    cyclopentanol 40.11
    tetrahydropyran 90.67
    tert-amyl methyl ether 37.98
    2,5,8-trioxanonane 105.68
    1-hexene 11.81
    2-isopropoxyethanol 62.03
    2,2,2-trifluoroethanol 68.23
    methyl butyrate 98.82

    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