Furan

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  • Identifiers

    CAS number
    110-00-9

    Molecular formula
    C4H4O

    SMILES
    C1=COC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Sweet 87.31%
    Ethereal 78.14%
    Burnt 71.63%
    Spicy 57.34%
    Nutty 45.36%
    Smoky 44.8%
    Coffee 42.61%
    Pungent 41.71%
    Musty 39.03%
    Phenolic 37.18%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    68.07 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -123 °F (EPA, 1998)
    • -85.61 °C
    • -85.6 °C

    Boiling point

    • 90 °F at 758 mmHg (EPA, 1998)
    • 31.5 °C
    • 32.00 °C. @ 758.00 mm Hg
    • 31.3 °C

    Flash point est.
    -28.83 ˚C

    Flash point expt.

    • Less than 32F (EPA, 1998)
    • -32 °F (-35 °C) (Closed cup)
    • -35 °C

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • Soluble in alcohol and ether
    • Slightly soluble in chloroform; very soluble in ethanol, ether; soluble in acetone, benzene
    • In water, 1X10+4 mg/L at 25 °C
    • 10 mg/mL at 25 °C
    • Solubility in water, g/l at 25 °C: 10

  • Synonyms

    • FURAN
    • 110-00-9
    • Divinylene oxide
    • Tetrole
    • Furfuran
    • Oxacyclopentadiene
    • Oxole
    • Furane
    • 1,4-Epoxy-1,3-butadiene
    • Axole
    • Furfurane
    • RCRA waste number U124
    • NCI-C56202
    • HSDB 89
    • CCRIS 3159
    • UNII-UC0XV6A8N9
    • EINECS 203-727-3
    • UC0XV6A8N9
    • BRN 0103221
    • DTXSID6020646
    • CHEBI:35559
    • AI3-24244
    • Furan (98%)
    • Furan (stabilized with BHT)
    • DTXCID20646
    • EC 203-727-3
    • 5-17-01-00291 (Beilstein Handbook Reference)
    • FURAN (IARC)
    • FURAN [IARC]
    • Furano
    • UN2389
    • RCRA waste no. U124
    • beta-furan
    • Oxol
    • furan-
    • Oxycyclopentadiene
    • 2-Furan
    • MFCD00003222
    • Furan, 98%
    • FURAN [HSDB]
    • FURAN [MI]
    • Furan, analytical standard
    • Furan, >=99%
    • CHEMBL278980
    • Furan 1000 microg/mL in Methanol
    • Tox21_200920
    • Furan 100 microg/mL in Acetonitrile
    • AKOS000120038
    • UN 2389
    • Furan [UN2389] [Flammable liquid]
    • NCGC00091774-01
    • NCGC00091774-02
    • NCGC00258474-01
    • CAS-110-00-9
    • F0074
    • NS00007433
    • EN300-17955
    • A802126
    • InChI=1/C4H4O/c1-2-4-5-3-1/h1-4
    • Q243992
    • BRD-K65278478-001-01-0
    • F0001-0213
    • 203-727-3
    • 25067-54-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 961.32
    methanol 1095.85
    isopropanol 667.2
    water 47.97
    ethyl acetate 224.11
    n-propanol 616.13
    acetone 639.62
    n-butanol 403.52
    acetonitrile 535.46
    DMF 1158.73
    toluene 77.96
    isobutanol 378.59
    1,4-dioxane 510.13
    methyl acetate 374.92
    THF 586.72
    2-butanone 408.1
    n-pentanol 271.2
    sec-butanol 429.33
    n-hexane 46.13
    ethylene glycol 583.64
    NMP 594.47
    cyclohexane 62.12
    DMSO 888.48
    n-butyl acetate 121.89
    n-octanol 136.28
    chloroform 433.09
    n-propyl acetate 142.8
    acetic acid 945.76
    dichloromethane 336.76
    cyclohexanone 237.48
    propylene glycol 645.07
    isopropyl acetate 108.49
    DMAc 828.09
    2-ethoxyethanol 491.11
    isopentanol 252.9
    n-heptane 54.37
    ethyl formate 142.77
    1,2-dichloroethane 210.27
    n-hexanol 230.62
    2-methoxyethanol 839.09
    isobutyl acetate 88.65
    tetrachloromethane 82.07
    n-pentyl acetate 76.96
    transcutol 913.13
    n-heptanol 115.88
    ethylbenzene 44.09
    MIBK 115.69
    2-propoxyethanol 426.48
    tert-butanol 536.53
    MTBE 280.52
    2-butoxyethanol 234.79
    propionic acid 495.23
    o-xylene 71.66
    formic acid 427.14
    diethyl ether 309.45
    m-xylene 54.47
    p-xylene 60.42
    chlorobenzene 91.72
    dimethyl carbonate 139.0
    n-octane 16.42
    formamide 515.16
    cyclopentanone 377.14
    2-pentanone 224.63
    anisole 148.08
    cyclopentyl methyl ether 222.3
    gamma-butyrolactone 355.01
    1-methoxy-2-propanol 567.92
    pyridine 356.77
    3-pentanone 208.44
    furfural 293.15
    n-dodecane 14.89
    diethylene glycol 441.74
    diisopropyl ether 71.2
    tert-amyl alcohol 365.21
    acetylacetone 208.29
    n-hexadecane 15.6
    acetophenone 117.99
    methyl propionate 259.96
    isopentyl acetate 96.03
    trichloroethylene 334.73
    n-nonanol 115.32
    cyclohexanol 250.68
    benzyl alcohol 149.64
    2-ethylhexanol 119.1
    isooctanol 84.79
    dipropyl ether 176.52
    1,2-dichlorobenzene 76.51
    ethyl lactate 110.72
    propylene carbonate 152.13
    n-methylformamide 568.34
    2-pentanol 247.05
    n-pentane 67.53
    1-propoxy-2-propanol 312.13
    1-methoxy-2-propyl acetate 147.63
    2-(2-methoxypropoxy) propanol 221.07
    mesitylene 34.23
    ε-caprolactone 196.36
    p-cymene 42.77
    epichlorohydrin 349.42
    1,1,1-trichloroethane 211.65
    2-aminoethanol 775.91
    morpholine-4-carbaldehyde 566.97
    sulfolane 384.42
    2,2,4-trimethylpentane 30.48
    2-methyltetrahydrofuran 376.66
    n-hexyl acetate 129.28
    isooctane 18.93
    2-(2-butoxyethoxy)ethanol 297.29
    sec-butyl acetate 84.94
    tert-butyl acetate 106.73
    decalin 23.41
    glycerin 685.49
    diglyme 489.18
    acrylic acid 498.8
    isopropyl myristate 57.8
    n-butyric acid 310.94
    acetyl acetate 128.21
    di(2-ethylhexyl) phthalate 61.78
    ethyl propionate 121.66
    nitromethane 792.85
    1,2-diethoxyethane 213.69
    benzonitrile 117.36
    trioctyl phosphate 45.5
    1-bromopropane 168.19
    gamma-valerolactone 378.42
    n-decanol 85.88
    triethyl phosphate 53.23
    4-methyl-2-pentanol 114.99
    propionitrile 311.89
    vinylene carbonate 136.32
    1,1,2-trichlorotrifluoroethane 426.94
    DMS 116.26
    cumene 36.91
    2-octanol 71.78
    2-hexanone 156.96
    octyl acetate 81.44
    limonene 73.94
    1,2-dimethoxyethane 498.3
    ethyl orthosilicate 55.01
    tributyl phosphate 50.08
    diacetone alcohol 201.73
    N,N-dimethylaniline 116.31
    acrylonitrile 362.49
    aniline 187.98
    1,3-propanediol 586.62
    bromobenzene 72.31
    dibromomethane 228.95
    1,1,2,2-tetrachloroethane 307.02
    2-methyl-cyclohexyl acetate 79.47
    tetrabutyl urea 79.35
    diisobutyl methanol 69.43
    2-phenylethanol 122.76
    styrene 62.95
    dioctyl adipate 89.74
    dimethyl sulfate 187.81
    ethyl butyrate 100.18
    methyl lactate 210.63
    butyl lactate 87.08
    diethyl carbonate 69.01
    propanediol butyl ether 260.66
    triethyl orthoformate 77.87
    p-tert-butyltoluene 44.07
    methyl 4-tert-butylbenzoate 114.93
    morpholine 673.92
    tert-butylamine 359.67
    n-dodecanol 69.06
    dimethoxymethane 430.49
    ethylene carbonate 107.7
    cyrene 161.16
    2-ethoxyethyl acetate 131.02
    2-ethylhexyl acetate 74.74
    1,2,4-trichlorobenzene 113.43
    4-methylpyridine 224.16
    dibutyl ether 103.3
    2,6-dimethyl-4-heptanol 69.43
    DEF 332.35
    dimethyl isosorbide 197.57
    tetrachloroethylene 218.13
    eugenol 127.74
    triacetin 152.39
    span 80 193.79
    1,4-butanediol 309.4
    1,1-dichloroethane 261.78
    2-methyl-1-pentanol 178.67
    methyl formate 314.88
    2-methyl-1-butanol 279.04
    n-decane 23.38
    butyronitrile 210.94
    3,7-dimethyl-1-octanol 116.64
    1-chlorooctane 60.14
    1-chlorotetradecane 28.57
    n-nonane 23.44
    undecane 17.92
    tert-butylcyclohexane 24.76
    cyclooctane 19.85
    cyclopentanol 345.85
    tetrahydropyran 374.69
    tert-amyl methyl ether 206.09
    2,5,8-trioxanonane 354.61
    1-hexene 110.56
    2-isopropoxyethanol 308.8
    2,2,2-trifluoroethanol 297.36
    methyl butyrate 149.86

    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