Ethylene cyanohydrin

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  • Identifiers

    CAS number
    109-78-4

    Molecular formula
    C3H5NO

    SMILES
    C(CO)C#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 52.41%
    Sweet 28.97%
    Odorless 24.26%
    Fishy 22.43%
    Fresh 22.21%
    Oily 22.08%
    Fruity 21.78%
    Cheesy 19.21%
    Pungent 18.65%
    Rose 18.1%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.94 (neutral)

    Molecular weight
    71.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -51 °F (NTP, 1992)
    • -46 °C

    Boiling point

    • 442 °F at 760 mmHg (slight decomposition) (NTP, 1992)
    • 221 °C

    Flash point est.
    94.05 ˚C

    Flash point expt.

    • greater than 265 °F (NTP, 1992)
    • 265 °F (129 °C) (Open cup)
    • 129 °C o.c.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
    • Miscible in ethanol; soluble in chloroform; slightly soluble in ethyl ether.
    • Miscible with acetone, methyl ethyl ketone, ethanol, chloroform, and diethyl ether; insoluble in benzene, carbon tetrachloride, and naphtha.
    • Miscible with acetone, methyl ethyl ketone, ethyl alcohol. Slightly sol in ether (2.3% w/w @ 15 °C). Insol in benzene, petr ether, carbon disulfide, carbon tetrachloride.
    • In water, 1X10+6 mg/l @ 20 °C
    • Solubility in water: miscible

  • Synonyms

    • 3-Hydroxypropionitrile
    • 109-78-4
    • 3-Hydroxypropanenitrile
    • Hydracrylonitrile
    • ETHYLENE CYANOHYDRIN
    • 2-Cyanoethanol
    • Propanenitrile, 3-hydroxy-
    • Glycol cyanohydrin
    • beta-Cyanoethanol
    • Methanolacetonitrile
    • Hydroxypropanenitrile
    • 2-Hydroxycyanoethane
    • 2-Cyanoethyl alcohol
    • beta-Hpn
    • 3-Hydroxypropiononitrile
    • beta-Hpn3
    • Propionitrile, 3-hydroxy-
    • USAF RH-7
    • 2-Hydroxyethyl cyanide
    • Aethylencyanhydrin
    • .beta.-Cyanoethanol
    • 2-Hydroxyethylkyanid
    • Aethylencyanhydrin [German]
    • Cyanoethanol
    • CCRIS 6049
    • HSDB 427
    • ETHYLENECYANOHYDRIN
    • .beta.-Hydroxypropionitrile
    • NSC 2598
    • EINECS 203-704-8
    • BRN 0635773
    • DTXSID1025433
    • UNII-7V8108WN46
    • AI3-02152
    • 3-hydroxy-propionitrile
    • NSC-2598
    • MFCD00002826
    • 3-Hydroxypropionitrile-d2
    • DTXCID405433
    • ETHYLENE CYANOHYDRIN [MI]
    • HYDROXYPROPANENITRILE, 3-
    • EC 203-704-8
    • ETHYLENE CYANOHYDRIN [HSDB]
    • 4-03-00-00708 (Beilstein Handbook Reference)
    • 7V8108WN46
    • 78645-87-1
    • beta-Hydroxypropionitrile
    • 2-Hydroxyethylkyanid [Czech]
    • 3-HYDROXYPROPANENITRILE (ETHYLENE CYANOHYDRIN)
    • 3-HYDROXYPROPANENITRILE {ETHYLENE CYANOHYDRIN}
    • Cyanhydrin
    • b-cyanoethanol
    • betaCyanoethanol
    • 2Cyanoethanol
    • betaHPN
    • ethylenecyanhydrin
    • betaHPN3
    • ethylene cyanhydrin
    • 2Hydroxycyanoethane
    • 2Hydroxyethylkyanid
    • 2Cyanoethyl alcohol
    • 3hydroxypropionitrile
    • methanol-acetonitrile
    • .beta.-Hpn3
    • 2hydroxyethyl cyanide
    • b-Hpn3
    • b-hydroxypropionitrile
    • 2-Cyano-1-ethanol
    • 3Hydroxypropanenitrile
    • b-HPN
    • 3-hydroxyproprionitrile
    • betaHydroxypropionitrile
    • 3-hydroxy propionitrile
    • Propionitrile, 3hydroxy
    • Propanenitrile, 3hydroxy
    • 1-cyano-2-hydroxyethane
    • 2-Cyanoethanol, Pract.
    • USAF-RH-7
    • WLN: Q2CN
    • 2-CYANOETHANOL ALCOHOL
    • 3-Hydroxypropionitrile, 97%
    • 3-Hydroxypropionitrile, Pract.
    • BETA-HYDROXYETHYL CYANIDE
    • 1-HYDROXY-2-CYANOETHANE
    • 3-Hydroxypropionitrile, >=99%
    • NSC2598
    • BCP26920
    • STR01894
    • Tox21_303822
    • BBL027405
    • STK802179
    • AKOS000120568
    • CS-W001263
    • FH02756
    • SB83804
    • 3-HYDROXYPROPANOIC ACID, NITRILE
    • NCGC00357100-01
    • BP-30055
    • CAS-109-78-4
    • SY005485
    • DB-003929
    • PROPANOIC ACID, 3-HYDROXY, NITRILE
    • NS00009584
    • 3-Hydroxypropionitrile, ReagentPlus(R), 99%
    • EN300-21056
    • D77638
    • 3-Hydroxypropionitrile, purum, >=98.0% (GC)
    • 3-Hydroxypropionitrile, puriss., >=99.0% (GC)
    • Q904204
    • 3-Hydroxypropionitrile, Vetec(TM) reagent grade, 96%
    • F0001-0204
    • Methanolacetonitrile;Propanenitrile, 3-hydroxy-;Hydracrylonitrile, Pract;Ethylene cyanohydrin, pract

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.24
    methanol 177.99
    isopropanol 37.95
    water 124.55
    ethyl acetate 23.82
    n-propanol 41.76
    acetone 127.11
    n-butanol 23.92
    acetonitrile 71.38
    DMF 585.95
    toluene 2.15
    isobutanol 26.23
    1,4-dioxane 58.38
    methyl acetate 51.79
    THF 90.15
    2-butanone 43.94
    n-pentanol 17.08
    sec-butanol 23.89
    n-hexane 1.19
    ethylene glycol 212.02
    NMP 417.18
    cyclohexane 2.26
    DMSO 537.17
    n-butyl acetate 23.27
    n-octanol 18.77
    chloroform 23.47
    n-propyl acetate 21.57
    acetic acid 448.02
    dichloromethane 23.47
    cyclohexanone 69.52
    propylene glycol 137.45
    isopropyl acetate 12.76
    DMAc 340.01
    2-ethoxyethanol 61.7
    isopentanol 15.42
    n-heptane 2.42
    ethyl formate 35.34
    1,2-dichloroethane 17.99
    n-hexanol 21.7
    2-methoxyethanol 141.69
    isobutyl acetate 13.74
    tetrachloromethane 5.49
    n-pentyl acetate 14.84
    transcutol 200.41
    n-heptanol 13.73
    ethylbenzene 1.99
    MIBK 14.83
    2-propoxyethanol 68.01
    tert-butanol 44.71
    MTBE 13.16
    2-butoxyethanol 39.01
    propionic acid 141.96
    o-xylene 3.73
    formic acid 330.22
    diethyl ether 8.79
    m-xylene 2.9
    p-xylene 3.73
    chlorobenzene 8.23
    dimethyl carbonate 40.32
    n-octane 0.95
    formamide 288.16
    cyclopentanone 124.31
    2-pentanone 24.93
    anisole 13.05
    cyclopentyl methyl ether 22.75
    gamma-butyrolactone 170.94
    1-methoxy-2-propanol 91.84
    pyridine 35.14
    3-pentanone 22.91
    furfural 153.07
    n-dodecane 1.22
    diethylene glycol 125.37
    diisopropyl ether 3.68
    tert-amyl alcohol 27.74
    acetylacetone 53.39
    n-hexadecane 1.32
    acetophenone 25.07
    methyl propionate 42.15
    isopentyl acetate 18.24
    trichloroethylene 42.19
    n-nonanol 16.46
    cyclohexanol 25.74
    benzyl alcohol 20.25
    2-ethylhexanol 13.62
    isooctanol 11.56
    dipropyl ether 13.4
    1,2-dichlorobenzene 13.08
    ethyl lactate 37.1
    propylene carbonate 73.78
    n-methylformamide 220.01
    2-pentanol 12.55
    n-pentane 1.05
    1-propoxy-2-propanol 48.86
    1-methoxy-2-propyl acetate 35.55
    2-(2-methoxypropoxy) propanol 67.16
    mesitylene 3.16
    ε-caprolactone 59.51
    p-cymene 5.44
    epichlorohydrin 67.39
    1,1,1-trichloroethane 15.47
    2-aminoethanol 143.26
    morpholine-4-carbaldehyde 240.15
    sulfolane 294.33
    2,2,4-trimethylpentane 1.25
    2-methyltetrahydrofuran 36.36
    n-hexyl acetate 26.76
    isooctane 0.92
    2-(2-butoxyethoxy)ethanol 76.26
    sec-butyl acetate 10.4
    tert-butyl acetate 18.42
    decalin 1.61
    glycerin 255.58
    diglyme 123.33
    acrylic acid 219.63
    isopropyl myristate 12.84
    n-butyric acid 69.92
    acetyl acetate 29.01
    di(2-ethylhexyl) phthalate 25.31
    ethyl propionate 18.89
    nitromethane 555.57
    1,2-diethoxyethane 23.32
    benzonitrile 26.57
    trioctyl phosphate 17.79
    1-bromopropane 4.92
    gamma-valerolactone 157.15
    n-decanol 12.92
    triethyl phosphate 16.79
    4-methyl-2-pentanol 7.9
    propionitrile 30.72
    vinylene carbonate 76.32
    1,1,2-trichlorotrifluoroethane 158.91
    DMS 43.43
    cumene 3.07
    2-octanol 8.95
    2-hexanone 20.64
    octyl acetate 19.37
    limonene 8.8
    1,2-dimethoxyethane 72.32
    ethyl orthosilicate 13.79
    tributyl phosphate 21.57
    diacetone alcohol 47.62
    N,N-dimethylaniline 16.01
    acrylonitrile 69.96
    aniline 14.7
    1,3-propanediol 89.49
    bromobenzene 5.08
    dibromomethane 11.64
    1,1,2,2-tetrachloroethane 37.74
    2-methyl-cyclohexyl acetate 20.68
    tetrabutyl urea 35.8
    diisobutyl methanol 8.71
    2-phenylethanol 21.02
    styrene 2.83
    dioctyl adipate 29.27
    dimethyl sulfate 113.51
    ethyl butyrate 19.24
    methyl lactate 81.21
    butyl lactate 31.03
    diethyl carbonate 17.23
    propanediol butyl ether 68.71
    triethyl orthoformate 16.67
    p-tert-butyltoluene 5.39
    methyl 4-tert-butylbenzoate 39.07
    morpholine 78.35
    tert-butylamine 19.02
    n-dodecanol 10.6
    dimethoxymethane 81.06
    ethylene carbonate 49.77
    cyrene 77.85
    2-ethoxyethyl acetate 26.74
    2-ethylhexyl acetate 13.72
    1,2,4-trichlorobenzene 20.47
    4-methylpyridine 22.98
    dibutyl ether 10.85
    2,6-dimethyl-4-heptanol 8.71
    DEF 61.87
    dimethyl isosorbide 80.62
    tetrachloroethylene 28.96
    eugenol 47.75
    triacetin 59.1
    span 80 66.3
    1,4-butanediol 50.91
    1,1-dichloroethane 11.9
    2-methyl-1-pentanol 12.58
    methyl formate 141.55
    2-methyl-1-butanol 17.14
    n-decane 1.6
    butyronitrile 19.63
    3,7-dimethyl-1-octanol 16.77
    1-chlorooctane 6.5
    1-chlorotetradecane 3.52
    n-nonane 1.47
    undecane 1.35
    tert-butylcyclohexane 1.63
    cyclooctane 0.76
    cyclopentanol 50.47
    tetrahydropyran 24.34
    tert-amyl methyl ether 11.42
    2,5,8-trioxanonane 115.14
    1-hexene 2.93
    2-isopropoxyethanol 35.6
    2,2,2-trifluoroethanol 178.0
    methyl butyrate 29.54

    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