Vanillylidene acetone

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  • Identifiers

    CAS number
    1080-12-2

    Molecular formula
    C11H12O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 89.92%
    Vanilla 81.08%
    Spicy 73.78%
    Balsamic 67.15%
    Creamy 61.12%
    Powdery 59.75%
    Woody 57.2%
    Floral 53.26%
    Clove 47.07%
    Phenolic 44.56%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    343°C

    Flash point est.
    137.45 ˚C

    Solubility expt.

    • slightly soluble in water
    • moderately soluble (in ethanol)

  • Synonyms

    • Dehydrozingerone
    • 1080-12-2
    • 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
    • Feruloylmethane
    • Vanillylidenacetone
    • 4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
    • 22214-42-2
    • Vanillalacetone
    • Dehydrogingerone
    • Vanylidenacetone
    • (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
    • Vanillidene acetone
    • Dehydro(O)-paradol
    • MHSK
    • 3-Methoxy-4-hydroxybenzalacetone
    • (O)-Paradol, dehydro-
    • (O)-Dehydroparadol
    • Vanillylidene acetone
    • 3-BUTEN-2-ONE, 4-(4-HYDROXY-3-METHOXYPHENYL)-
    • 4-Hydroxy-3-methoxystyryl methyl ketone
    • FEMA No. 3738
    • 4-Hydroxy-3-methoxybenzylideneacetone
    • Dehydro(0)-paradol
    • NSC 4019
    • NSC 5316
    • NSC 26613
    • NSC 44708
    • (0)-Paradol, dehydro-
    • Methyl-3-methoxy-4-hydroxy styryl ketone
    • (E)-4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
    • NSC-4019
    • NSC-5316
    • EINECS 214-096-9
    • Vanillylideneacetone
    • NSC 45411
    • NSC-44708
    • NSC-45411
    • BRN 2049660
    • Methyl-3-methoxy-4-hydroxystyryl ketone
    • 8CJX5I27B7
    • (3E)-4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one
    • AI3-01934
    • (E)-2-Methoxy-4-(3-oxo-1-butenyl)phenol
    • MFCD00012210
    • NSC-26613
    • dehydrozingerol
    • TRANS-DEHYDROZINGERONE
    • 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-, (E)-
    • CHEMBL106509
    • CHEBI:81361
    • 2-08-00-00326 (Beilstein Handbook Reference)
    • VANILLYLIDENE ACETONE [FHFI]
    • [0]-Paradol, dehydro-
    • 4-hydroxy-3-methoxybenzalacetone
    • (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
    • [0]-Dehydroparadol
    • 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-, (3E)-
    • MMHSK
    • DTXSID2061480
    • UNII-8CJX5I27B7
    • GJK
    • SCHEMBL498223
    • (E)-4-(4-hydroxy-3-methoxy-phenyl)but-3-en-2-one
    • DTXCID2033104
    • Vanillylidenacetone, >=98.5%
    • NSC4019
    • NSC5316
    • NSC26613
    • NSC44708
    • NSC45411
    • XAA21442
    • AC8555
    • BDBM50195679
    • AKOS004909556
    • DS-4905
    • FV07091
    • Vanillylidenacetone, analytical standard
    • CS-0146520
    • CS-0356785
    • H0996
    • C17840
    • 3-Buten-2-one,4-(4-hydroxy-3-methoxyphenyl)-
    • 4-(4-Hydroxy-3-methoxyphenyl)-3-butene-2-one
    • EN300-1858829
    • 4-(4-Hydroxy-3-methoxy-phenyl)-but-3-en-2-one
    • 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one #
    • AE-562/43459152
    • (E)-4-(4-hydroxy-3-methoxyphenyl) but-3-en-2-one
    • Q27155299
    • (E)-4-(4-Hydroxy-3-methoxy-phenyl)-but-3-en-2-one
    • 214-096-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 191.16
    methanol 214.92
    isopropanol 166.78
    water 0.44
    ethyl acetate 262.56
    n-propanol 134.78
    acetone 342.83
    n-butanol 93.31
    acetonitrile 203.52
    DMF 332.55
    toluene 34.6
    isobutanol 77.83
    1,4-dioxane 404.25
    methyl acetate 308.35
    THF 623.49
    2-butanone 246.73
    n-pentanol 80.87
    sec-butanol 143.15
    n-hexane 3.6
    ethylene glycol 107.55
    NMP 147.91
    cyclohexane 3.17
    DMSO 648.72
    n-butyl acetate 90.47
    n-octanol 41.52
    chloroform 171.08
    n-propyl acetate 119.22
    acetic acid 179.01
    dichloromethane 181.89
    cyclohexanone 149.72
    propylene glycol 157.47
    isopropyl acetate 95.98
    DMAc 347.04
    2-ethoxyethanol 275.99
    isopentanol 80.56
    n-heptane 3.77
    ethyl formate 119.33
    1,2-dichloroethane 143.38
    n-hexanol 75.33
    2-methoxyethanol 383.98
    isobutyl acetate 64.55
    tetrachloromethane 14.85
    n-pentyl acetate 45.81
    transcutol 437.73
    n-heptanol 35.84
    ethylbenzene 31.0
    MIBK 88.21
    2-propoxyethanol 180.92
    tert-butanol 439.54
    MTBE 189.83
    2-butoxyethanol 88.57
    propionic acid 133.17
    o-xylene 30.43
    formic acid 95.97
    diethyl ether 143.99
    m-xylene 29.99
    p-xylene 36.71
    chlorobenzene 48.5
    dimethyl carbonate 93.63
    n-octane 3.28
    formamide 225.94
    cyclopentanone 250.38
    2-pentanone 151.03
    anisole 124.95
    cyclopentyl methyl ether 123.34
    gamma-butyrolactone 294.43
    1-methoxy-2-propanol 274.42
    pyridine 130.43
    3-pentanone 107.13
    furfural 208.79
    n-dodecane 3.97
    diethylene glycol 212.71
    diisopropyl ether 32.08
    tert-amyl alcohol 230.15
    acetylacetone 199.17
    n-hexadecane 4.38
    acetophenone 95.2
    methyl propionate 189.03
    isopentyl acetate 80.06
    trichloroethylene 231.15
    n-nonanol 38.9
    cyclohexanol 80.52
    benzyl alcohol 90.08
    2-ethylhexanol 46.79
    isooctanol 32.18
    dipropyl ether 51.22
    1,2-dichlorobenzene 49.65
    ethyl lactate 74.85
    propylene carbonate 121.46
    n-methylformamide 179.73
    2-pentanol 77.8
    n-pentane 1.96
    1-propoxy-2-propanol 119.41
    1-methoxy-2-propyl acetate 122.19
    2-(2-methoxypropoxy) propanol 116.48
    mesitylene 20.2
    ε-caprolactone 138.73
    p-cymene 22.2
    epichlorohydrin 343.63
    1,1,1-trichloroethane 111.55
    2-aminoethanol 149.85
    morpholine-4-carbaldehyde 259.48
    sulfolane 285.08
    2,2,4-trimethylpentane 4.84
    2-methyltetrahydrofuran 255.11
    n-hexyl acetate 73.41
    isooctane 3.91
    2-(2-butoxyethoxy)ethanol 141.64
    sec-butyl acetate 76.08
    tert-butyl acetate 124.66
    decalin 6.43
    glycerin 211.65
    diglyme 257.78
    acrylic acid 109.53
    isopropyl myristate 34.64
    n-butyric acid 121.94
    acetyl acetate 105.26
    di(2-ethylhexyl) phthalate 34.8
    ethyl propionate 100.95
    nitromethane 414.82
    1,2-diethoxyethane 123.18
    benzonitrile 75.87
    trioctyl phosphate 25.64
    1-bromopropane 60.96
    gamma-valerolactone 271.81
    n-decanol 32.06
    triethyl phosphate 47.98
    4-methyl-2-pentanol 47.92
    propionitrile 121.97
    vinylene carbonate 112.29
    1,1,2-trichlorotrifluoroethane 218.86
    DMS 91.58
    cumene 25.14
    2-octanol 29.1
    2-hexanone 107.48
    octyl acetate 42.12
    limonene 29.95
    1,2-dimethoxyethane 366.73
    ethyl orthosilicate 44.38
    tributyl phosphate 33.95
    diacetone alcohol 177.61
    N,N-dimethylaniline 72.72
    acrylonitrile 147.8
    aniline 76.83
    1,3-propanediol 193.91
    bromobenzene 42.02
    dibromomethane 101.97
    1,1,2,2-tetrachloroethane 182.54
    2-methyl-cyclohexyl acetate 60.22
    tetrabutyl urea 45.6
    diisobutyl methanol 33.92
    2-phenylethanol 74.92
    styrene 37.44
    dioctyl adipate 53.4
    dimethyl sulfate 149.83
    ethyl butyrate 74.61
    methyl lactate 107.48
    butyl lactate 48.5
    diethyl carbonate 61.86
    propanediol butyl ether 95.83
    triethyl orthoformate 56.19
    p-tert-butyltoluene 22.55
    methyl 4-tert-butylbenzoate 77.51
    morpholine 437.0
    tert-butylamine 136.36
    n-dodecanol 26.97
    dimethoxymethane 273.72
    ethylene carbonate 93.62
    cyrene 105.27
    2-ethoxyethyl acetate 88.1
    2-ethylhexyl acetate 57.74
    1,2,4-trichlorobenzene 64.66
    4-methylpyridine 116.99
    dibutyl ether 51.03
    2,6-dimethyl-4-heptanol 33.92
    DEF 138.15
    dimethyl isosorbide 161.17
    tetrachloroethylene 91.38
    eugenol 80.95
    triacetin 89.22
    span 80 73.88
    1,4-butanediol 80.78
    1,1-dichloroethane 137.33
    2-methyl-1-pentanol 71.63
    methyl formate 173.09
    2-methyl-1-butanol 71.65
    n-decane 5.88
    butyronitrile 94.29
    3,7-dimethyl-1-octanol 46.1
    1-chlorooctane 24.75
    1-chlorotetradecane 12.4
    n-nonane 5.19
    undecane 4.72
    tert-butylcyclohexane 7.7
    cyclooctane 1.8
    cyclopentanol 97.16
    tetrahydropyran 228.04
    tert-amyl methyl ether 120.04
    2,5,8-trioxanonane 196.38
    1-hexene 21.68
    2-isopropoxyethanol 166.89
    2,2,2-trifluoroethanol 83.66
    methyl butyrate 124.92

    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