(2S)-tetrahydrofuran-2-carbaldehyde

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  • Identifiers

    CAS number
    22170-12-3

    Molecular formula
    C5H8O2

    SMILES
    C1C[C@H](OC1)C=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 56.56%
    Caramellic 54.06%
    Green 49.33%
    Fruity 45.46%
    Ethereal 44.81%
    Nutty 43.18%
    Buttery 38.0%
    Pungent 36.16%
    Fatty 33.34%
    Almond 31.22%

     

    Flavor
    Oily 34.34%
    Caramel 33.72%
    Fatty 28.32%
    Vegetable 25.89%
    Sulfur 23.84%
    Sweet 23.77%
    Cauliflower 23.7%
    Bitter 23.3%
    Buttery 23.03%
    Shrimp 21.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    6.63 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point

    • 56.9 ˚C est.

  • Synonyms

    • 22170-12-3
    • (S)-Tetrahydrofuran-2-carbaldehyde
    • (2S)-tetrahydrofuran-2-carbaldehyde
    • (2S)-Tetrahydro-2-furancarboxaldehyde
    • SCHEMBL4356648
    • SCHEMBL8357828
    • 22170-12-3

  • Applications

    (2S)-tetrahydrofuran-2-carbaldehyde (CAS 22170-12-3) is primarily used as a reactive intermediate in organic synthesis, acting as a chiral building block for asymmetric transformations in pharmaceutical and agrochemical production. It is commonly evaluated as a fragrance and flavor intermediate, serving as a precursor to aroma compounds that incorporate a tetrahydrofuran moiety, and can function as a scaffold for specialty polymers by introducing a masked aldehyde functionality. It is also used as a substrate in lactone-forming sequences and other heterocycle-building reactions in chemical research. Its use is generally subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 254.04
    methanol 503.75
    isopropanol 119.61
    water 36.99
    ethyl acetate 104.11
    n-propanol 150.37
    acetone 156.62
    n-butanol 115.91
    acetonitrile 170.57
    DMF 262.82
    toluene 12.86
    isobutanol 93.63
    1,4-dioxane 171.5
    methyl acetate 118.37
    THF 182.79
    2-butanone 92.03
    n-pentanol 64.25
    sec-butanol 88.02
    n-hexane 2.76
    ethylene glycol 195.43
    NMP 260.17
    cyclohexane 7.24
    DMSO 395.78
    n-butyl acetate 64.59
    n-octanol 40.67
    chloroform 405.19
    n-propyl acetate 55.49
    acetic acid 1010.76
    dichloromethane 343.15
    cyclohexanone 141.75
    propylene glycol 155.78
    isopropyl acetate 44.93
    DMAc 163.13
    2-ethoxyethanol 163.63
    isopentanol 79.28
    n-heptane 4.39
    ethyl formate 100.18
    1,2-dichloroethane 147.6
    n-hexanol 66.59
    2-methoxyethanol 315.87
    isobutyl acetate 33.93
    tetrachloromethane 33.64
    n-pentyl acetate 38.64
    transcutol 705.78
    n-heptanol 32.83
    ethylbenzene 10.68
    MIBK 39.6
    2-propoxyethanol 152.65
    tert-butanol 112.64
    MTBE 33.12
    2-butoxyethanol 95.2
    propionic acid 291.94
    o-xylene 15.93
    formic acid 612.33
    diethyl ether 37.06
    m-xylene 14.24
    p-xylene 18.71
    chlorobenzene 62.68
    dimethyl carbonate 42.6
    n-octane 1.96
    formamide 507.67
    cyclopentanone 185.44
    2-pentanone 60.92
    anisole 47.82
    cyclopentyl methyl ether 54.8
    gamma-butyrolactone 295.66
    1-methoxy-2-propanol 176.37
    pyridine 161.44
    3-pentanone 42.31
    furfural 333.82
    n-dodecane 2.61
    diethylene glycol 228.83
    diisopropyl ether 10.89
    tert-amyl alcohol 76.1
    acetylacetone 99.54
    n-hexadecane 2.82
    acetophenone 61.73
    methyl propionate 77.72
    isopentyl acetate 55.6
    trichloroethylene 341.5
    n-nonanol 35.8
    cyclohexanol 84.58
    benzyl alcohol 65.24
    2-ethylhexanol 35.78
    isooctanol 28.57
    dipropyl ether 29.39
    1,2-dichlorobenzene 73.07
    ethyl lactate 57.62
    propylene carbonate 150.97
    n-methylformamide 240.12
    2-pentanol 51.09
    n-pentane 3.04
    1-propoxy-2-propanol 101.46
    1-methoxy-2-propyl acetate 75.44
    2-(2-methoxypropoxy) propanol 122.8
    mesitylene 12.46
    ε-caprolactone 140.21
    p-cymene 16.23
    epichlorohydrin 229.36
    1,1,1-trichloroethane 106.23
    2-aminoethanol 241.23
    morpholine-4-carbaldehyde 251.21
    sulfolane 305.03
    2,2,4-trimethylpentane 3.5
    2-methyltetrahydrofuran 106.89
    n-hexyl acetate 65.29
    isooctane 2.74
    2-(2-butoxyethoxy)ethanol 175.57
    sec-butyl acetate 31.32
    tert-butyl acetate 46.42
    decalin 4.6
    glycerin 270.5
    diglyme 267.28
    acrylic acid 351.38
    isopropyl myristate 25.44
    n-butyric acid 263.81
    acetyl acetate 95.32
    di(2-ethylhexyl) phthalate 40.77
    ethyl propionate 47.52
    nitromethane 744.18
    1,2-diethoxyethane 81.61
    benzonitrile 94.14
    trioctyl phosphate 26.14
    1-bromopropane 44.38
    gamma-valerolactone 255.13
    n-decanol 27.08
    triethyl phosphate 33.86
    4-methyl-2-pentanol 30.4
    propionitrile 103.34
    vinylene carbonate 167.32
    1,1,2-trichlorotrifluoroethane 308.67
    DMS 69.18
    cumene 12.45
    2-octanol 21.32
    2-hexanone 47.05
    octyl acetate 35.91
    limonene 23.81
    1,2-dimethoxyethane 153.7
    ethyl orthosilicate 29.54
    tributyl phosphate 34.49
    diacetone alcohol 90.19
    N,N-dimethylaniline 34.52
    acrylonitrile 185.79
    aniline 65.45
    1,3-propanediol 237.63
    bromobenzene 50.87
    dibromomethane 162.74
    1,1,2,2-tetrachloroethane 245.07
    2-methyl-cyclohexyl acetate 47.79
    tetrabutyl urea 43.38
    diisobutyl methanol 23.99
    2-phenylethanol 64.53
    styrene 16.11
    dioctyl adipate 51.95
    dimethyl sulfate 83.93
    ethyl butyrate 51.89
    methyl lactate 89.68
    butyl lactate 57.36
    diethyl carbonate 45.69
    propanediol butyl ether 130.43
    triethyl orthoformate 41.0
    p-tert-butyltoluene 15.11
    methyl 4-tert-butylbenzoate 70.56
    morpholine 207.32
    tert-butylamine 53.94
    n-dodecanol 21.21
    dimethoxymethane 94.5
    ethylene carbonate 115.9
    cyrene 103.85
    2-ethoxyethyl acetate 66.93
    2-ethylhexyl acetate 39.51
    1,2,4-trichlorobenzene 96.55
    4-methylpyridine 85.02
    dibutyl ether 32.24
    2,6-dimethyl-4-heptanol 23.99
    DEF 93.69
    dimethyl isosorbide 147.46
    tetrachloroethylene 175.58
    eugenol 86.68
    triacetin 98.79
    span 80 104.56
    1,4-butanediol 94.37
    1,1-dichloroethane 115.79
    2-methyl-1-pentanol 52.19
    methyl formate 163.73
    2-methyl-1-butanol 74.35
    n-decane 3.67
    butyronitrile 82.96
    3,7-dimethyl-1-octanol 42.46
    1-chlorooctane 18.0
    1-chlorotetradecane 8.27
    n-nonane 3.24
    undecane 3.0
    tert-butylcyclohexane 4.3
    cyclooctane 2.34
    cyclopentanol 114.23
    tetrahydropyran 94.76
    tert-amyl methyl ether 27.39
    2,5,8-trioxanonane 208.96
    1-hexene 11.92
    2-isopropoxyethanol 90.23
    2,2,2-trifluoroethanol 307.41
    methyl butyrate 68.12

    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