4-Hydroxybenzyl cyanide

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  • Identifiers

    CAS number
    14191-95-8

    Molecular formula
    C8H7NO

    SMILES
    C1=CC(=CC=C1CC#N)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 52.27%
    Floral 51.51%
    Phenolic 39.62%
    Spicy 39.4%
    Bitter 30.31%
    Animal 28.96%
    Almond 26.59%
    Balsamic 25.63%
    Powdery 25.39%
    Smoky 25.17%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    133.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 72 °C

    Boiling point

    • 329.00 to 330.00 °C. @ 760.00 mm Hg

    Flash point est.
    142.36 ˚C

  • Synonyms

    • 14191-95-8
    • 4-Hydroxyphenylacetonitrile
    • 4-Hydroxybenzyl cyanide
    • 2-(4-hydroxyphenyl)acetonitrile
    • (4-Hydroxyphenyl)acetonitrile
    • Benzeneacetonitrile, 4-hydroxy-
    • 4-HYDROXYBENZYLCYANIDE
    • 4-Hydroxybenzeneacetonitrile
    • p-Hydroxybenzyl cyanide
    • p-Hydroxyphenylacetonitrile
    • Acetonitrile, (p-hydroxyphenyl)-
    • 4-(Cyanomethyl)phenol
    • EINECS 238-046-0
    • MFCD00002383
    • NSC 76080
    • UNII-18Q5J224RM
    • BRN 1934470
    • 18Q5J224RM
    • 4-Hydroxyphenylacetic acid nitrile
    • NSC-76080
    • CHEBI:16667
    • DTXSID90161856
    • 4-10-00-00554 (Beilstein Handbook Reference)
    • PHBC
    • ACETIC ACID,(4-HYDROXYPHENYL),NITRILE 4-HYDROXY-BENZYLCYANIDE
    • (4-hydroxy-phenyl)-acetonitrile
    • alpha-cyano-p-cresol
    • para-hydroxybenzyl cyanide
    • bmse000441
    • p-hydroxy phenyl acetonitrile
    • 4-Hydroxyphenylacetate nitrile
    • SCHEMBL448467
    • 4-(hydroxy)phenyl acetonitrile
    • Acetonitrile, 4-hydroxyphenyl-
    • DTXCID6084347
    • 4-Hydroxyphenylacetonitrile, 98%
    • HMS1786P20
    • NSC76080
    • STR01465
    • AKOS000121408
    • CS-W016539
    • FH24478
    • HY-W015823
    • PS-4572
    • Benzeneacetonitrile, 4-hydroxy- (9CI)
    • AC-10551
    • PD158329
    • DB-028916
    • H0657
    • NS00024606
    • EN300-18729
    • C03766
    • AE-562/40164564
    • 4-Hydroxybenzyl cyanide;4-Hydroxy-benzeneacetonitrile
    • Q27102019
    • Z90120144
    • 7898C7A4-5D46-437F-8474-B1E83F66AFE5
    • ACETIC ACID,(4-HYDROXYPHENYL),NITRILE 4-HYDROXY-BENZYLCYANIDE
    • 3AQ

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 231.72
    methanol 384.39
    isopropanol 149.52
    water 26.21
    ethyl acetate 124.65
    n-propanol 147.51
    acetone 509.71
    n-butanol 98.61
    acetonitrile 184.82
    DMF 912.09
    toluene 30.87
    isobutanol 86.39
    1,4-dioxane 254.83
    methyl acetate 222.7
    THF 343.66
    2-butanone 269.38
    n-pentanol 83.47
    sec-butanol 101.71
    n-hexane 6.02
    ethylene glycol 275.74
    NMP 551.64
    cyclohexane 4.05
    DMSO 1299.06
    n-butyl acetate 68.12
    n-octanol 45.62
    chloroform 122.22
    n-propyl acetate 91.57
    acetic acid 242.52
    dichloromethane 115.71
    cyclohexanone 179.7
    propylene glycol 200.14
    isopropyl acetate 64.94
    DMAc 694.21
    2-ethoxyethanol 228.06
    isopentanol 70.08
    n-heptane 5.4
    ethyl formate 139.42
    1,2-dichloroethane 112.13
    n-hexanol 76.97
    2-methoxyethanol 387.33
    isobutyl acetate 50.43
    tetrachloromethane 38.48
    n-pentyl acetate 47.66
    transcutol 401.36
    n-heptanol 45.27
    ethylbenzene 22.26
    MIBK 66.35
    2-propoxyethanol 178.99
    tert-butanol 152.74
    MTBE 77.8
    2-butoxyethanol 112.32
    propionic acid 231.71
    o-xylene 29.27
    formic acid 303.18
    diethyl ether 79.67
    m-xylene 22.98
    p-xylene 30.96
    chlorobenzene 52.15
    dimethyl carbonate 146.03
    n-octane 2.38
    formamide 488.54
    cyclopentanone 344.82
    2-pentanone 131.65
    anisole 102.09
    cyclopentyl methyl ether 91.09
    gamma-butyrolactone 385.98
    1-methoxy-2-propanol 236.93
    pyridine 164.1
    3-pentanone 110.03
    furfural 355.09
    n-dodecane 2.03
    diethylene glycol 261.26
    diisopropyl ether 19.89
    tert-amyl alcohol 106.93
    acetylacetone 208.36
    n-hexadecane 2.27
    acetophenone 107.19
    methyl propionate 155.94
    isopentyl acetate 57.55
    trichloroethylene 208.27
    n-nonanol 36.32
    cyclohexanol 60.17
    benzyl alcohol 91.68
    2-ethylhexanol 39.51
    isooctanol 32.84
    dipropyl ether 39.61
    1,2-dichlorobenzene 51.04
    ethyl lactate 86.2
    propylene carbonate 164.3
    n-methylformamide 501.12
    2-pentanol 54.17
    n-pentane 4.35
    1-propoxy-2-propanol 108.61
    1-methoxy-2-propyl acetate 105.31
    2-(2-methoxypropoxy) propanol 111.56
    mesitylene 15.26
    ε-caprolactone 151.83
    p-cymene 17.89
    epichlorohydrin 325.45
    1,1,1-trichloroethane 89.85
    2-aminoethanol 249.24
    morpholine-4-carbaldehyde 439.62
    sulfolane 538.93
    2,2,4-trimethylpentane 3.11
    2-methyltetrahydrofuran 171.2
    n-hexyl acetate 73.25
    isooctane 2.4
    2-(2-butoxyethoxy)ethanol 144.99
    sec-butyl acetate 51.1
    tert-butyl acetate 76.71
    decalin 4.42
    glycerin 320.44
    diglyme 295.06
    acrylic acid 259.24
    isopropyl myristate 24.69
    n-butyric acid 138.98
    acetyl acetate 92.2
    di(2-ethylhexyl) phthalate 36.38
    ethyl propionate 83.7
    nitromethane 606.21
    1,2-diethoxyethane 76.66
    benzonitrile 79.82
    trioctyl phosphate 26.83
    1-bromopropane 41.48
    gamma-valerolactone 375.14
    n-decanol 26.59
    triethyl phosphate 36.53
    4-methyl-2-pentanol 29.79
    propionitrile 107.3
    vinylene carbonate 143.9
    1,1,2-trichlorotrifluoroethane 368.41
    DMS 96.08
    cumene 17.88
    2-octanol 28.25
    2-hexanone 112.59
    octyl acetate 36.23
    limonene 22.01
    1,2-dimethoxyethane 306.55
    ethyl orthosilicate 31.33
    tributyl phosphate 30.02
    diacetone alcohol 139.24
    N,N-dimethylaniline 67.48
    acrylonitrile 172.95
    aniline 78.91
    1,3-propanediol 220.5
    bromobenzene 40.26
    dibromomethane 66.32
    1,1,2,2-tetrachloroethane 168.06
    2-methyl-cyclohexyl acetate 45.74
    tetrabutyl urea 44.92
    diisobutyl methanol 22.51
    2-phenylethanol 78.93
    styrene 28.48
    dioctyl adipate 42.23
    dimethyl sulfate 318.57
    ethyl butyrate 54.76
    methyl lactate 163.51
    butyl lactate 59.4
    diethyl carbonate 43.87
    propanediol butyl ether 129.97
    triethyl orthoformate 41.75
    p-tert-butyltoluene 18.14
    methyl 4-tert-butylbenzoate 77.15
    morpholine 267.61
    tert-butylamine 67.06
    n-dodecanol 19.32
    dimethoxymethane 286.72
    ethylene carbonate 113.78
    cyrene 129.97
    2-ethoxyethyl acetate 84.51
    2-ethylhexyl acetate 42.43
    1,2,4-trichlorobenzene 75.25
    4-methylpyridine 144.07
    dibutyl ether 30.29
    2,6-dimethyl-4-heptanol 22.51
    DEF 169.62
    dimethyl isosorbide 152.57
    tetrachloroethylene 117.24
    eugenol 89.56
    triacetin 96.24
    span 80 79.27
    1,4-butanediol 124.76
    1,1-dichloroethane 88.52
    2-methyl-1-pentanol 60.65
    methyl formate 376.15
    2-methyl-1-butanol 69.64
    n-decane 3.39
    butyronitrile 75.98
    3,7-dimethyl-1-octanol 38.02
    1-chlorooctane 16.89
    1-chlorotetradecane 6.74
    n-nonane 3.29
    undecane 2.59
    tert-butylcyclohexane 4.94
    cyclooctane 1.98
    cyclopentanol 102.78
    tetrahydropyran 124.34
    tert-amyl methyl ether 53.54
    2,5,8-trioxanonane 191.0
    1-hexene 20.63
    2-isopropoxyethanol 130.69
    2,2,2-trifluoroethanol 170.72
    methyl butyrate 114.68

    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

Botanical

Name CAS Botanical Proportion
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 0.87%