3-Furanol, tetrahydro-

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  • Identifiers

    CAS number
    453-20-3

    Molecular formula
    C4H8O2

    SMILES
    C1COCC1O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 41.34%
    Caramellic 40.98%
    Alcoholic 38.45%
    Solvent 37.3%
    Ethereal 36.3%
    Oily 32.21%
    Fermented 29.65%
    Buttery 29.19%
    Odorless 29.04%
    Fruity 28.73%

     

    Flavor
    Sweet 53.48%
    Caramel 43.3%
    Bitter 35.2%
    Oily 32.75%
    Warm 29.34%
    Vegetable 27.8%
    Cauliflower 26.96%
    Coconut 24.0%
    Fatty 23.83%
    Alkaline 22.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    7.11 (neutral)

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    163°C

    Flash point

    • 66.03 ˚C est.

  • Synonyms

    • Tetrahydrofuran-3-ol
    • 3-Furanol, tetrahydro-
    • Tetrahydro-3-furanol
    • 3-Hydroxyoxolane
    • EINECS 207-219-2
    • NSC 71875
    • BRN 0102545
    • AI3-28120
    • DTXSID20868947
    • 5-17-03-00064 (Beilstein Handbook Reference)
    • 3Hydroxyoxolane
    • Tetrahydrofuran3ol
    • 3Furanol, tetrahydro
    • 3hydroxytetrahydrofuran
    • RefChem:502115
    • DTXCID10817000
    • 207-219-2
    • 3-HYDROXYTETRAHYDROFURAN
    • 453-20-3
    • oxolan-3-ol
    • Tetrahydro-furan-3-ol
    • MFCD00005374
    • 84976-47-6
    • 2-Furanyl,tetrahydro-3-hydroxy-, (R)- (9CI)
    • S-3-Hydroxytetrahydrofuran
    • NSC-71875
    • (S) 3-Hydroxytetrahydrofuran
    • 3-tetrahydrofuranol
    • NSC71875
    • tetrahydrofuran-4-ol
    • 3-hydroxytetrahydofuran
    • 3-hydroxytetrahydrofurane
    • 3-hydroxy tetrahydrofuran
    • 3-hydroxy-tetrahydrofuran
    • 3-hydroxy tetrahydrofurane
    • 3-hydroxy-tetrahydrofurane
    • racemic tetrahydrofuran-3-ol
    • Tetrahydrofuran, 3-hydroxy-
    • SCHEMBL37819
    • SCHEMBL37820
    • rac-3-hydroxy-tetrahydrofuran
    • 4MA8Z6Y28L
    • SCHEMBL1564804
    • SCHEMBL3148979
    • SCHEMBL3368161
    • SCHEMBL3369545
    • SCHEMBL8565847
    • (3RS)-3-Hydroxytetrahydrofuran
    • CHEMBL2287517
    • (+/-)-3-hydroxytetrahydrofuran
    • CS-M0786
    • 3-Hydroxytetrahydrofuran, (+/-)-
    • AKOS009157141
    • PB17096
    • PB24525
    • PB25950
    • SB10387
    • SY003288
    • DB-012663
    • DB-012671
    • DB-031092
    • H1331
    • NS00001466
    • NS00076945
    • ST45028961
    • EN300-70362
    • 3-Hydroxytetrahydrofuran, ReagentPlus(R), 98%
    • F005327
    • Q4634149
    • 3-Hydroxytetrahydrofuran, Vetec(TM) reagent grade, 98%
    • F0001-1228
    • Z1124541349
    • 453-20-3

  • Applications

    3-Furanol, tetrahydro- (CAS number: 453-20-3) is an organic derivative that may be used as an intermediate and solvent in industrial synthesis; it can serve as a reaction medium or processing solvent in applications such as coatings and inks; as a potential building block for fragrance chemistry, it can be used as a precursor to aroma compounds; in polymer chemistry, it may function as a building block or monomer precursor for plastics and polymers; and in cosmetics, it may be considered a fragrance-related intermediate or scent-related component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 828.52
    methanol 1562.63
    isopropanol 382.66
    water 1446.59
    ethyl acetate 101.93
    n-propanol 428.36
    acetone 207.97
    n-butanol 328.8
    acetonitrile 252.46
    DMF 743.46
    toluene 12.62
    isobutanol 225.04
    1,4-dioxane 196.81
    methyl acetate 133.66
    THF 254.38
    2-butanone 110.65
    n-pentanol 142.06
    sec-butanol 237.02
    n-hexane 3.31
    ethylene glycol 886.18
    NMP 352.15
    cyclohexane 6.27
    DMSO 535.43
    n-butyl acetate 44.35
    n-octanol 52.57
    chloroform 194.89
    n-propyl acetate 52.89
    acetic acid 1931.28
    dichloromethane 155.85
    cyclohexanone 107.16
    propylene glycol 740.45
    isopropyl acetate 47.02
    DMAc 446.63
    2-ethoxyethanol 445.07
    isopentanol 178.46
    n-heptane 6.27
    ethyl formate 179.3
    1,2-dichloroethane 63.28
    n-hexanol 102.9
    2-methoxyethanol 1001.62
    isobutyl acetate 28.97
    tetrachloromethane 45.34
    n-pentyl acetate 34.45
    transcutol 564.96
    n-heptanol 65.75
    ethylbenzene 6.16
    MIBK 43.05
    2-propoxyethanol 280.45
    tert-butanol 272.05
    MTBE 53.18
    2-butoxyethanol 195.25
    propionic acid 545.37
    o-xylene 12.52
    formic acid 2343.84
    diethyl ether 58.16
    m-xylene 13.21
    p-xylene 9.63
    chlorobenzene 24.8
    dimethyl carbonate 60.77
    n-octane 2.48
    formamide 1774.73
    cyclopentanone 186.62
    2-pentanone 81.83
    anisole 36.17
    cyclopentyl methyl ether 72.92
    gamma-butyrolactone 272.53
    1-methoxy-2-propanol 499.17
    pyridine 122.18
    3-pentanone 46.52
    furfural 294.07
    n-dodecane 2.11
    diethylene glycol 453.31
    diisopropyl ether 13.36
    tert-amyl alcohol 179.63
    acetylacetone 86.97
    n-hexadecane 2.07
    acetophenone 41.33
    methyl propionate 105.43
    isopentyl acetate 34.52
    trichloroethylene 147.18
    n-nonanol 44.05
    cyclohexanol 130.73
    benzyl alcohol 80.37
    2-ethylhexanol 44.31
    isooctanol 46.39
    dipropyl ether 33.66
    1,2-dichlorobenzene 25.21
    ethyl lactate 78.04
    propylene carbonate 137.86
    n-methylformamide 721.25
    2-pentanol 126.43
    n-pentane 6.22
    1-propoxy-2-propanol 165.86
    1-methoxy-2-propyl acetate 64.29
    2-(2-methoxypropoxy) propanol 117.0
    mesitylene 8.8
    ε-caprolactone 123.19
    p-cymene 9.84
    epichlorohydrin 206.93
    1,1,1-trichloroethane 54.62
    2-aminoethanol 1104.43
    morpholine-4-carbaldehyde 384.12
    sulfolane 235.22
    2,2,4-trimethylpentane 4.12
    2-methyltetrahydrofuran 133.76
    n-hexyl acetate 45.11
    isooctane 2.88
    2-(2-butoxyethoxy)ethanol 190.82
    sec-butyl acetate 26.69
    tert-butyl acetate 41.35
    decalin 2.83
    glycerin 1041.2
    diglyme 295.89
    acrylic acid 628.26
    isopropyl myristate 14.59
    n-butyric acid 497.3
    acetyl acetate 70.43
    di(2-ethylhexyl) phthalate 28.32
    ethyl propionate 42.86
    nitromethane 983.92
    1,2-diethoxyethane 60.21
    benzonitrile 56.64
    trioctyl phosphate 20.21
    1-bromopropane 28.65
    gamma-valerolactone 283.63
    n-decanol 30.59
    triethyl phosphate 23.08
    4-methyl-2-pentanol 55.66
    propionitrile 122.64
    vinylene carbonate 141.94
    1,1,2-trichlorotrifluoroethane 424.67
    DMS 33.98
    cumene 6.49
    2-octanol 29.64
    2-hexanone 40.18
    octyl acetate 25.82
    limonene 14.95
    1,2-dimethoxyethane 234.28
    ethyl orthosilicate 24.04
    tributyl phosphate 21.5
    diacetone alcohol 122.42
    N,N-dimethylaniline 31.31
    acrylonitrile 198.97
    aniline 81.53
    1,3-propanediol 888.03
    bromobenzene 15.81
    dibromomethane 77.99
    1,1,2,2-tetrachloroethane 110.62
    2-methyl-cyclohexyl acetate 30.58
    tetrabutyl urea 30.68
    diisobutyl methanol 21.68
    2-phenylethanol 58.58
    styrene 8.81
    dioctyl adipate 29.78
    dimethyl sulfate 96.57
    ethyl butyrate 39.71
    methyl lactate 168.06
    butyl lactate 57.12
    diethyl carbonate 27.72
    propanediol butyl ether 198.68
    triethyl orthoformate 33.15
    p-tert-butyltoluene 10.17
    methyl 4-tert-butylbenzoate 55.93
    morpholine 338.66
    tert-butylamine 113.59
    n-dodecanol 21.57
    dimethoxymethane 206.12
    ethylene carbonate 104.28
    cyrene 111.59
    2-ethoxyethyl acetate 55.04
    2-ethylhexyl acetate 24.19
    1,2,4-trichlorobenzene 33.93
    4-methylpyridine 79.97
    dibutyl ether 22.87
    2,6-dimethyl-4-heptanol 21.68
    DEF 150.43
    dimethyl isosorbide 116.72
    tetrachloroethylene 101.35
    eugenol 79.8
    triacetin 62.56
    span 80 113.05
    1,4-butanediol 352.89
    1,1-dichloroethane 60.79
    2-methyl-1-pentanol 84.83
    methyl formate 356.41
    2-methyl-1-butanol 173.53
    n-decane 3.31
    butyronitrile 124.89
    3,7-dimethyl-1-octanol 41.25
    1-chlorooctane 11.07
    1-chlorotetradecane 4.72
    n-nonane 3.1
    undecane 2.5
    tert-butylcyclohexane 3.0
    cyclooctane 2.55
    cyclopentanol 206.35
    tetrahydropyran 101.34
    tert-amyl methyl ether 44.01
    2,5,8-trioxanonane 197.23
    1-hexene 11.26
    2-isopropoxyethanol 207.73
    2,2,2-trifluoroethanol 875.75
    methyl butyrate 68.39

    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