Propylene cyanohydrin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2567-01-3

    Molecular formula
    C4H7NO

    SMILES
    CC(CO)C#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 38.51%
    Fruity 27.86%
    Cheesy 27.36%
    Sweet 24.65%
    Fishy 23.9%
    Oily 23.4%
    Odorless 21.5%
    Fresh 21.17%
    Citrus 18.76%
    Ripe 18.57%

     

    Flavor
    Bitter 39.05%
    Odorless 38.43%
    Sulfurous 22.77%
    Mild 21.66%
    Bland 19.81%
    Roasted 19.34%
    Sweet-like 19.25%
    Nitrile 19.09%
    Glue 18.62%
    Very slight 18.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    7.05 (neutral)

    Molecular weight
    85.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    218°C

    Flash point

    • 89.29 ˚C est.

  • Synonyms

    • 3-hydroxy-2-methylpropanenitrile
    • 2567-01-3
    • 3-Hydroxy-2-methylpropiononitrile
    • PROPYLENE CYANOHYDRIN
    • Propanenitrile, 3-hydroxy-2-methyl-
    • beta-hydroxyisobutyronitrile
    • DTXSID50948549
    • EINECS 219-902-2
    • 2-METHYLHYDRACRYLONITRILE
    • COZQDNPLORIALF-UHFFFAOYSA-N
    • DTXCID501376780
    • HYDRACRYLONITRILE, 2-METHYL-
    • AKOS009387606
    • CS-0222830
    • NS00045548
    • EN300-112802
    • Z406338220
    • 219-902-2

  • Applications

    Propylene cyanohydrin (CAS 2567-01-3) is primarily used as an organic-chemical intermediate in industrial manufacturing. As a masked source of carbonyl and cyanide functionality, it serves as a building block for the preparation of nitrile- and hydroxy-containing intermediates used in pharmaceutical and fine-chemical syntheses. It can act as a precursor in polymers and plastics chemistry to access functional monomers and crosslinking agents, and may be employed in coatings and inks formulations as a reactive intermediate. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 141.58
    methanol 271.31
    isopropanol 75.57
    water 190.43
    ethyl acetate 38.06
    n-propanol 91.34
    acetone 119.59
    n-butanol 68.7
    acetonitrile 74.13
    DMF 269.33
    toluene 4.94
    isobutanol 63.57
    1,4-dioxane 83.47
    methyl acetate 59.41
    THF 122.27
    2-butanone 62.0
    n-pentanol 39.51
    sec-butanol 58.52
    n-hexane 2.06
    ethylene glycol 161.3
    NMP 266.95
    cyclohexane 3.35
    DMSO 305.73
    n-butyl acetate 32.54
    n-octanol 24.91
    chloroform 69.33
    n-propyl acetate 29.66
    acetic acid 508.14
    dichloromethane 56.95
    cyclohexanone 98.12
    propylene glycol 135.5
    isopropyl acetate 21.91
    DMAc 197.22
    2-ethoxyethanol 91.29
    isopentanol 47.37
    n-heptane 3.07
    ethyl formate 64.5
    1,2-dichloroethane 31.55
    n-hexanol 41.69
    2-methoxyethanol 183.96
    isobutyl acetate 18.57
    tetrachloromethane 20.94
    n-pentyl acetate 25.93
    transcutol 209.31
    n-heptanol 28.81
    ethylbenzene 3.63
    MIBK 24.92
    2-propoxyethanol 79.79
    tert-butanol 78.9
    MTBE 26.29
    2-butoxyethanol 65.45
    propionic acid 199.15
    o-xylene 7.17
    formic acid 452.42
    diethyl ether 17.04
    m-xylene 5.74
    p-xylene 7.83
    chlorobenzene 17.1
    dimethyl carbonate 28.21
    n-octane 1.38
    formamide 407.14
    cyclopentanone 159.05
    2-pentanone 39.32
    anisole 19.35
    cyclopentyl methyl ether 33.79
    gamma-butyrolactone 201.41
    1-methoxy-2-propanol 104.97
    pyridine 61.68
    3-pentanone 28.69
    furfural 196.79
    n-dodecane 1.32
    diethylene glycol 119.93
    diisopropyl ether 6.04
    tert-amyl alcohol 66.72
    acetylacetone 66.41
    n-hexadecane 1.39
    acetophenone 31.72
    methyl propionate 41.82
    isopentyl acetate 29.18
    trichloroethylene 95.75
    n-nonanol 20.21
    cyclohexanol 50.37
    benzyl alcohol 30.15
    2-ethylhexanol 22.12
    isooctanol 23.37
    dipropyl ether 14.62
    1,2-dichlorobenzene 19.78
    ethyl lactate 36.1
    propylene carbonate 104.44
    n-methylformamide 206.17
    2-pentanol 32.01
    n-pentane 2.11
    1-propoxy-2-propanol 56.21
    1-methoxy-2-propyl acetate 38.51
    2-(2-methoxypropoxy) propanol 59.56
    mesitylene 5.21
    ε-caprolactone 83.24
    p-cymene 7.27
    epichlorohydrin 105.36
    1,1,1-trichloroethane 35.76
    2-aminoethanol 178.1
    morpholine-4-carbaldehyde 179.49
    sulfolane 262.48
    2,2,4-trimethylpentane 2.34
    2-methyltetrahydrofuran 71.23
    n-hexyl acetate 34.54
    isooctane 1.59
    2-(2-butoxyethoxy)ethanol 78.26
    sec-butyl acetate 16.42
    tert-butyl acetate 29.63
    decalin 2.05
    glycerin 216.72
    diglyme 142.24
    acrylic acid 247.82
    isopropyl myristate 12.92
    n-butyric acid 145.77
    acetyl acetate 42.01
    di(2-ethylhexyl) phthalate 24.26
    ethyl propionate 21.79
    nitromethane 421.22
    1,2-diethoxyethane 30.21
    benzonitrile 35.55
    trioctyl phosphate 17.61
    1-bromopropane 11.03
    gamma-valerolactone 169.15
    n-decanol 14.51
    triethyl phosphate 18.91
    4-methyl-2-pentanol 17.95
    propionitrile 42.55
    vinylene carbonate 96.26
    1,1,2-trichlorotrifluoroethane 193.23
    DMS 32.22
    cumene 5.08
    2-octanol 17.11
    2-hexanone 29.95
    octyl acetate 19.66
    limonene 11.69
    1,2-dimethoxyethane 79.69
    ethyl orthosilicate 17.12
    tributyl phosphate 19.24
    diacetone alcohol 65.81
    N,N-dimethylaniline 18.26
    acrylonitrile 77.4
    aniline 28.72
    1,3-propanediol 149.3
    bromobenzene 11.91
    dibromomethane 29.54
    1,1,2,2-tetrachloroethane 74.03
    2-methyl-cyclohexyl acetate 28.2
    tetrabutyl urea 25.03
    diisobutyl methanol 13.17
    2-phenylethanol 30.36
    styrene 5.11
    dioctyl adipate 27.84
    dimethyl sulfate 75.46
    ethyl butyrate 27.22
    methyl lactate 63.82
    butyl lactate 37.84
    diethyl carbonate 20.21
    propanediol butyl ether 79.76
    triethyl orthoformate 20.96
    p-tert-butyltoluene 7.3
    methyl 4-tert-butylbenzoate 46.91
    morpholine 106.93
    tert-butylamine 33.95
    n-dodecanol 11.02
    dimethoxymethane 58.04
    ethylene carbonate 67.86
    cyrene 72.99
    2-ethoxyethyl acetate 37.21
    2-ethylhexyl acetate 21.0
    1,2,4-trichlorobenzene 29.24
    4-methylpyridine 41.26
    dibutyl ether 13.57
    2,6-dimethyl-4-heptanol 13.17
    DEF 61.44
    dimethyl isosorbide 81.27
    tetrachloroethylene 65.53
    eugenol 49.69
    triacetin 56.48
    span 80 57.89
    1,4-butanediol 72.05
    1,1-dichloroethane 28.57
    2-methyl-1-pentanol 31.99
    methyl formate 139.11
    2-methyl-1-butanol 50.45
    n-decane 1.91
    butyronitrile 42.78
    3,7-dimethyl-1-octanol 21.82
    1-chlorooctane 7.78
    1-chlorotetradecane 3.64
    n-nonane 1.76
    undecane 1.51
    tert-butylcyclohexane 2.39
    cyclooctane 1.3
    cyclopentanol 89.89
    tetrahydropyran 46.03
    tert-amyl methyl ether 21.07
    2,5,8-trioxanonane 106.27
    1-hexene 6.29
    2-isopropoxyethanol 55.34
    2,2,2-trifluoroethanol 245.31
    methyl butyrate 38.02

    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