2-Furanacrolein

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  • Identifiers

    CAS number
    623-30-3

    Molecular formula
    C7H6O2

    SMILES
    C1=COC(=C1)/C=C/C=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Spicy 90.44%
    Cinnamon 70.95%
    Woody 63.1%
    Sweet 59.48%
    Herbal 59.28%
    Fruity 58.87%
    Nutty 55.83%
    Green 54.46%
    Warm 49.07%
    Almond 45.97%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    5.63 (weak acid)

    Molecular weight
    122.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 129 °F (NTP, 1992)

    Boiling point

    • 275 °F at 14 mmHg (NTP, 1992)

    Flash point est.
    73.62 ˚C

    Solubility expt.

    • Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992)
    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-(2-Furyl)acrolein
    • 623-30-3
    • 2-Furanacrolein
    • (E)-3-(Furan-2-yl)acrylaldehyde
    • 39511-08-5
    • 3-(Furan-2-yl)acrylaldehyde
    • trans-3-(2-Furyl)acrolein
    • 3-(2-Furyl)acrylaldehyde
    • Furyl acrolein
    • 2-Propenal, 3-(2-furanyl)-
    • Furyl acrolein, 2-
    • BETA-2-FURYLACROLEIN
    • (E)-3-(furan-2-yl)prop-2-enal
    • FEMA No. 2494
    • NSC 2061
    • 3-(2-Furyl)acrolien [FHFI]
    • SSQ86U3DRP
    • trans-beta-2-Furylacrolein
    • NSC-2061
    • (2E)-3-(2-Furanyl)-2-propenal
    • NSC 26338
    • NSC-26338
    • 2-Propenal, 3-(2-furanyl)-, (E)-
    • 3-(2-Furanyl)-2-propenal
    • 2-Propenal, 3-(2-furanyl)-, (2E)-
    • .beta.-2-Furylacrolein
    • EINECS 210-785-3
    • MFCD00003256
    • (2E)-3-(furan-2-yl)prop-2-enal
    • 3-(.alpha.-Furyl)propenal
    • (E)-3-(2-Furyl)acrolein
    • 3-(furan-2-yl)prop-2-enal
    • 3-(alpha-Furyl)propenal
    • DTXSID9049295
    • TRANS-.BETA.-2-FURYLACROLEIN
    • 3-(2-Furyl)-2-propen-1-al
    • Furan-2-acrolein
    • beta-2-Furanacrolein
    • CCRIS 3776
    • 3-(2-Furyl)propenal
    • 3-(2-Furyl)-2-propenal
    • UNII-SSQ86U3DRP
    • BRN 0107570
    • (2E)-3-(2-furyl)acrylaldehyde
    • AI3-00703
    • 3-(2-Furyl)acrylaldehyd
    • .beta.-(2-Furyl)acrolein
    • 5-17-09-00570 (Beilstein Handbook Reference)
    • SCHEMBL560499
    • SCHEMBL560500
    • (2E)-3-(2-furyl)acrolein
    • 3-(2-FURYL)ACROLIEN
    • CHEMBL1994615
    • DTXCID8029151
    • NSC2061
    • CHEBI:173468
    • (E)-3-(uran-2-yl)prop-2-enal
    • NSC26338
    • Tox21_202896
    • trans-3-(2-Furyl)acrolein, 97%
    • (E)-3-(furan-2-yl)-acrylaldehyde
    • STK397886
    • AKOS000268562
    • CS-W013561
    • FF71266
    • 3-(2-Furoyl)acrolein;Furan-2-acrolein
    • 3-(2-Furyl)acrolein, >=99%, FG
    • NCGC00260442-01
    • AS-15961
    • LS-13265
    • CAS-39511-08-5
    • F0181
    • NS00012488
    • EN300-50843
    • EN300-270442
    • O10885
    • Q27289372
    • F0401-0096
    • Z3219926044
    • 210-785-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 489.79
    methanol 720.79
    isopropanol 302.75
    water 7.3
    ethyl acetate 546.28
    n-propanol 304.73
    acetone 909.25
    n-butanol 240.91
    acetonitrile 973.89
    DMF 936.11
    toluene 148.34
    isobutanol 225.78
    1,4-dioxane 777.78
    methyl acetate 780.31
    THF 827.4
    2-butanone 667.18
    n-pentanol 167.5
    sec-butanol 263.06
    n-hexane 20.1
    ethylene glycol 214.62
    NMP 924.61
    cyclohexane 37.92
    DMSO 1648.43
    n-butyl acetate 200.87
    n-octanol 106.25
    chloroform 733.94
    n-propyl acetate 297.79
    acetic acid 541.34
    dichloromethane 1178.23
    cyclohexanone 519.36
    propylene glycol 154.5
    isopropyl acetate 243.11
    DMAc 1077.09
    2-ethoxyethanol 393.58
    isopentanol 205.2
    n-heptane 24.52
    ethyl formate 284.88
    1,2-dichloroethane 681.64
    n-hexanol 140.45
    2-methoxyethanol 659.69
    isobutyl acetate 163.05
    tetrachloromethane 102.9
    n-pentyl acetate 129.15
    transcutol 1301.67
    n-heptanol 68.62
    ethylbenzene 98.36
    MIBK 209.11
    2-propoxyethanol 310.86
    tert-butanol 342.88
    MTBE 335.61
    2-butoxyethanol 166.17
    propionic acid 373.03
    o-xylene 128.62
    formic acid 236.35
    diethyl ether 399.6
    m-xylene 105.35
    p-xylene 129.6
    chlorobenzene 235.52
    dimethyl carbonate 276.63
    n-octane 12.58
    formamide 536.77
    cyclopentanone 797.7
    2-pentanone 391.74
    anisole 324.34
    cyclopentyl methyl ether 353.79
    gamma-butyrolactone 881.79
    1-methoxy-2-propanol 381.26
    pyridine 596.23
    3-pentanone 355.55
    furfural 651.51
    n-dodecane 16.06
    diethylene glycol 330.5
    diisopropyl ether 98.88
    tert-amyl alcohol 293.7
    acetylacetone 476.84
    n-hexadecane 17.78
    acetophenone 290.66
    methyl propionate 488.72
    isopentyl acetate 180.85
    trichloroethylene 1048.98
    n-nonanol 90.75
    cyclohexanol 229.4
    benzyl alcohol 203.98
    2-ethylhexanol 96.18
    isooctanol 65.58
    dipropyl ether 140.99
    1,2-dichlorobenzene 217.74
    ethyl lactate 132.29
    propylene carbonate 363.01
    n-methylformamide 531.55
    2-pentanol 159.33
    n-pentane 23.71
    1-propoxy-2-propanol 194.64
    1-methoxy-2-propyl acetate 227.96
    2-(2-methoxypropoxy) propanol 257.74
    mesitylene 74.84
    ε-caprolactone 426.36
    p-cymene 70.8
    epichlorohydrin 969.5
    1,1,1-trichloroethane 443.1
    2-aminoethanol 270.72
    morpholine-4-carbaldehyde 825.98
    sulfolane 994.5
    2,2,4-trimethylpentane 22.51
    2-methyltetrahydrofuran 631.15
    n-hexyl acetate 213.43
    isooctane 15.62
    2-(2-butoxyethoxy)ethanol 311.23
    sec-butyl acetate 186.83
    tert-butyl acetate 237.3
    decalin 30.86
    glycerin 233.97
    diglyme 650.02
    acrylic acid 352.74
    isopropyl myristate 95.09
    n-butyric acid 340.39
    acetyl acetate 325.36
    di(2-ethylhexyl) phthalate 89.11
    ethyl propionate 257.55
    nitromethane 1257.16
    1,2-diethoxyethane 350.52
    benzonitrile 268.4
    trioctyl phosphate 63.49
    1-bromopropane 313.95
    gamma-valerolactone 713.71
    n-decanol 70.78
    triethyl phosphate 106.86
    4-methyl-2-pentanol 92.82
    propionitrile 479.51
    vinylene carbonate 323.16
    1,1,2-trichlorotrifluoroethane 484.78
    DMS 284.02
    cumene 74.22
    2-octanol 58.99
    2-hexanone 271.35
    octyl acetate 115.51
    limonene 98.66
    1,2-dimethoxyethane 645.38
    ethyl orthosilicate 98.58
    tributyl phosphate 85.59
    diacetone alcohol 282.25
    N,N-dimethylaniline 207.41
    acrylonitrile 647.95
    aniline 230.66
    1,3-propanediol 314.82
    bromobenzene 245.3
    dibromomethane 592.87
    1,1,2,2-tetrachloroethane 619.74
    2-methyl-cyclohexyl acetate 139.87
    tetrabutyl urea 122.37
    diisobutyl methanol 70.77
    2-phenylethanol 158.68
    styrene 142.26
    dioctyl adipate 143.01
    dimethyl sulfate 456.79
    ethyl butyrate 188.75
    methyl lactate 209.06
    butyl lactate 109.14
    diethyl carbonate 154.11
    propanediol butyl ether 191.79
    triethyl orthoformate 128.34
    p-tert-butyltoluene 65.49
    methyl 4-tert-butylbenzoate 197.18
    morpholine 796.49
    tert-butylamine 200.89
    n-dodecanol 57.89
    dimethoxymethane 547.46
    ethylene carbonate 264.42
    cyrene 238.39
    2-ethoxyethyl acetate 228.67
    2-ethylhexyl acetate 145.98
    1,2,4-trichlorobenzene 265.97
    4-methylpyridine 444.06
    dibutyl ether 149.26
    2,6-dimethyl-4-heptanol 70.77
    DEF 558.52
    dimethyl isosorbide 367.42
    tetrachloroethylene 405.65
    eugenol 193.64
    triacetin 289.54
    span 80 173.72
    1,4-butanediol 140.83
    1,1-dichloroethane 580.28
    2-methyl-1-pentanol 160.69
    methyl formate 420.8
    2-methyl-1-butanol 212.63
    n-decane 21.91
    butyronitrile 315.26
    3,7-dimethyl-1-octanol 112.31
    1-chlorooctane 77.52
    1-chlorotetradecane 39.45
    n-nonane 20.67
    undecane 18.43
    tert-butylcyclohexane 29.39
    cyclooctane 15.43
    cyclopentanol 274.53
    tetrahydropyran 543.0
    tert-amyl methyl ether 248.04
    2,5,8-trioxanonane 466.04
    1-hexene 79.31
    2-isopropoxyethanol 271.84
    2,2,2-trifluoroethanol 205.7
    methyl butyrate 336.64

    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