3-Furancarboxaldehyde, tetrahydro-

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  • Identifiers

    CAS number
    79710-86-4

    Molecular formula
    C5H8O2

    SMILES
    C1COCC1C=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 59.81%
    Green 49.85%
    Ethereal 46.5%
    Pungent 43.07%
    Nutty 36.89%
    Sweet 36.0%
    Almond 33.1%
    Caramellic 32.99%
    Sharp 31.17%
    Fresh 30.82%

     

    Flavor
    Oily 32.8%
    Caramel 29.85%
    Fatty 28.01%
    Bitter 26.9%
    Vegetable 23.86%
    Sweet 23.75%
    Cauliflower 23.11%
    Buttery 22.28%
    Shrimp 21.92%
    Clam 21.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    6.62 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    158°C

    Flash point

    • 56.18 ˚C est.

  • Synonyms

    • Tetrahydrofuran-3-carbaldehyde
    • 79710-86-4
    • 3-Furancarboxaldehyde, tetrahydro-
    • tetrahydro-3-furancarboxaldehyde
    • DTXSID60888563
    • EC 629-664-5
    • RefChem:502102
    • DTXCID601027839
    • 629-664-5
    • oxolane-3-carbaldehyde
    • tetrahydro-3-furancarbaldehyde
    • MFCD02101976
    • TETRAHYDROFURAN-3-CARBOXALDEHYDE
    • Tetrahydrofuran-3-carbaldehyde, 50% in water
    • 2-(Tetrahydrofuran-3-yl)acetaldehyde (~50per cent in water)
    • tetrahydrofuran-3-carboxyaldehyde
    • 3-formyltetrahydrofuran
    • Tetrahydrofuran-3-carboxaldehyde 98
    • (oxolan-3-yl)formaldehyde
    • SCHEMBL67754
    • tetrahydrofuran-4-carbaldehyde
    • 3-tetrahydrofurancarboxaldehyde
    • SCHEMBL263591
    • SCHEMBL856648
    • tetrahydro-furan-3-carbaldehyde
    • CHEMBL2228161
    • BDBM50486221
    • SBB052278
    • AKOS000121109
    • AKOS016843210
    • CS-W004272
    • (+/-)-tetrahydrofuran-3-carboxaldehyde
    • AS-49421
    • SY046752
    • NS00002685
    • Tetrahydrofuran-3-carbaldehyde 50% in water
    • EN300-24546
    • I10170
    • F065262
    • F8887-4764
    • Z199056102
    • Tetrahydrofuran-3-carbaldehyde(50% wt solultion in water)
    • 79710-86-4

  • Applications

    3-Furancarboxaldehyde, tetrahydro- (CAS number: 79710-86-4) is primarily used as a building block in organic synthesis and is often evaluated for fragrance applications; in perfumery and cosmetics it serves as a fragrance intermediate or odorant precursor, and may be used as a scent ingredient in some household products; in industrial manufacturing it functions as an intermediate for the synthesis of more complex specialty chemicals; in polymers/plastics and coatings/inks it can act as a precursor to new monomers or resins; in pharmaceutical and agrochemical R&D it is sometimes employed as a synthetic building block for more advanced molecules; its use is subject to formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 383.52
    methanol 661.28
    isopropanol 198.64
    water 105.66
    ethyl acetate 106.68
    n-propanol 217.56
    acetone 177.01
    n-butanol 165.69
    acetonitrile 186.98
    DMF 347.01
    toluene 13.38
    isobutanol 134.05
    1,4-dioxane 168.31
    methyl acetate 132.17
    THF 200.12
    2-butanone 116.24
    n-pentanol 85.02
    sec-butanol 137.7
    n-hexane 3.29
    ethylene glycol 292.24
    NMP 294.94
    cyclohexane 6.24
    DMSO 330.76
    n-butyl acetate 63.99
    n-octanol 49.95
    chloroform 427.83
    n-propyl acetate 63.66
    acetic acid 1447.85
    dichloromethane 320.9
    cyclohexanone 139.38
    propylene glycol 270.3
    isopropyl acetate 51.6
    DMAc 228.58
    2-ethoxyethanol 215.22
    isopentanol 108.96
    n-heptane 4.9
    ethyl formate 111.24
    1,2-dichloroethane 123.94
    n-hexanol 80.69
    2-methoxyethanol 432.53
    isobutyl acetate 40.71
    tetrachloromethane 40.61
    n-pentyl acetate 41.53
    transcutol 692.06
    n-heptanol 44.14
    ethylbenzene 10.65
    MIBK 48.08
    2-propoxyethanol 189.24
    tert-butanol 166.15
    MTBE 42.68
    2-butoxyethanol 125.98
    propionic acid 392.46
    o-xylene 15.27
    formic acid 901.47
    diethyl ether 43.18
    m-xylene 14.62
    p-xylene 18.69
    chlorobenzene 50.77
    dimethyl carbonate 53.76
    n-octane 1.94
    formamide 695.61
    cyclopentanone 193.04
    2-pentanone 73.87
    anisole 52.1
    cyclopentyl methyl ether 60.95
    gamma-butyrolactone 296.91
    1-methoxy-2-propanol 256.94
    pyridine 160.6
    3-pentanone 49.02
    furfural 331.46
    n-dodecane 2.41
    diethylene glycol 269.85
    diisopropyl ether 12.12
    tert-amyl alcohol 115.92
    acetylacetone 103.36
    n-hexadecane 2.52
    acetophenone 68.5
    methyl propionate 93.8
    isopentyl acetate 56.62
    trichloroethylene 356.27
    n-nonanol 42.49
    cyclohexanol 99.3
    benzyl alcohol 75.82
    2-ethylhexanol 42.05
    isooctanol 37.14
    dipropyl ether 33.22
    1,2-dichlorobenzene 61.69
    ethyl lactate 70.48
    propylene carbonate 165.48
    n-methylformamide 325.0
    2-pentanol 75.94
    n-pentane 3.72
    1-propoxy-2-propanol 132.16
    1-methoxy-2-propyl acetate 82.09
    2-(2-methoxypropoxy) propanol 135.87
    mesitylene 12.32
    ε-caprolactone 142.69
    p-cymene 16.34
    epichlorohydrin 239.16
    1,1,1-trichloroethane 109.75
    2-aminoethanol 383.07
    morpholine-4-carbaldehyde 280.64
    sulfolane 298.8
    2,2,4-trimethylpentane 4.31
    2-methyltetrahydrofuran 121.85
    n-hexyl acetate 68.56
    isooctane 3.26
    2-(2-butoxyethoxy)ethanol 196.88
    sec-butyl acetate 36.93
    tert-butyl acetate 53.86
    decalin 4.45
    glycerin 421.82
    diglyme 287.82
    acrylic acid 474.63
    isopropyl myristate 24.96
    n-butyric acid 361.14
    acetyl acetate 96.12
    di(2-ethylhexyl) phthalate 42.15
    ethyl propionate 55.44
    nitromethane 897.31
    1,2-diethoxyethane 75.55
    benzonitrile 87.84
    trioctyl phosphate 27.09
    1-bromopropane 43.19
    gamma-valerolactone 277.82
    n-decanol 30.15
    triethyl phosphate 33.13
    4-methyl-2-pentanol 41.44
    propionitrile 113.61
    vinylene carbonate 180.79
    1,1,2-trichlorotrifluoroethane 391.73
    DMS 66.43
    cumene 12.83
    2-octanol 25.63
    2-hexanone 58.07
    octyl acetate 36.76
    limonene 23.81
    1,2-dimethoxyethane 172.67
    ethyl orthosilicate 30.1
    tributyl phosphate 33.74
    diacetone alcohol 117.07
    N,N-dimethylaniline 39.71
    acrylonitrile 193.24
    aniline 72.17
    1,3-propanediol 352.28
    bromobenzene 39.58
    dibromomethane 148.45
    1,1,2,2-tetrachloroethane 242.36
    2-methyl-cyclohexyl acetate 49.85
    tetrabutyl urea 43.72
    diisobutyl methanol 25.54
    2-phenylethanol 70.24
    styrene 15.35
    dioctyl adipate 51.35
    dimethyl sulfate 94.73
    ethyl butyrate 56.04
    methyl lactate 113.98
    butyl lactate 66.57
    diethyl carbonate 45.85
    propanediol butyl ether 167.32
    triethyl orthoformate 42.57
    p-tert-butyltoluene 15.72
    methyl 4-tert-butylbenzoate 78.2
    morpholine 240.25
    tert-butylamine 76.96
    n-dodecanol 22.36
    dimethoxymethane 112.13
    ethylene carbonate 120.73
    cyrene 121.15
    2-ethoxyethyl acetate 68.76
    2-ethylhexyl acetate 39.45
    1,2,4-trichlorobenzene 85.2
    4-methylpyridine 90.99
    dibutyl ether 30.61
    2,6-dimethyl-4-heptanol 25.54
    DEF 114.74
    dimethyl isosorbide 154.1
    tetrachloroethylene 171.31
    eugenol 99.36
    triacetin 104.25
    span 80 118.49
    1,4-butanediol 132.88
    1,1-dichloroethane 117.96
    2-methyl-1-pentanol 69.4
    methyl formate 193.75
    2-methyl-1-butanol 109.23
    n-decane 3.43
    butyronitrile 94.0
    3,7-dimethyl-1-octanol 47.58
    1-chlorooctane 17.06
    1-chlorotetradecane 7.45
    n-nonane 3.05
    undecane 2.74
    tert-butylcyclohexane 4.73
    cyclooctane 2.17
    cyclopentanol 144.74
    tetrahydropyran 93.62
    tert-amyl methyl ether 34.95
    2,5,8-trioxanonane 214.51
    1-hexene 13.53
    2-isopropoxyethanol 120.91
    2,2,2-trifluoroethanol 495.81
    methyl butyrate 79.13

    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