Phenylacetyl chloride

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  • Identifiers

    CAS number
    103-80-0

    Molecular formula
    C8H7ClO

    SMILES
    C1=CC=C(C=C1)CC(=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Floral 82.13%
    Sweet 78.75%
    Honey 74.45%
    Rose 55.54%
    Powdery 49.13%
    Balsamic 47.54%
    Chocolate 34.1%
    Fruity 33.79%
    Spicy 33.74%
    Cocoa 30.48%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    154.59 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point est.
    96.21 ˚C

  • Synonyms

    • PHENYLACETYL CHLORIDE
    • 103-80-0
    • Benzeneacetyl chloride
    • 2-phenylacetyl chloride
    • phenyl acetyl chloride
    • Phenylacetic acid chloride
    • Acetyl chloride, phenyl-
    • Phenacetyl chloride
    • UN2577
    • PHENYLACETIC CHLORIDE
    • EINECS 203-146-5
    • UNII-T30899DRND
    • MFCD00000729
    • .alpha.-Phenylacetyl chloride
    • CCRIS 8623
    • T30899DRND
    • phenyl-acetyl chloride
    • AI3-23871
    • DTXSID6059281
    • Phenylacetyl Chloride(Benzeneacetyl Chloride)
    • UN 2577
    • UN-2577
    • Phenylacetylchloride
    • phenacetylchloride
    • BnCOCl
    • benzenacetyl chloride
    • phenyl acetylchloride
    • phenylacetyl-chloride
    • PhCH2COCl
    • 2Phenylacetyl chloride
    • Cloruro de fenilacetilo
    • Acetyl chloride, phenyl
    • benzyl carbonyl chloride
    • Chlorure de phenylacetyle
    • 2-phenyl acetyl chloride
    • 2-phenyl-acetyl chloride
    • 2-phenylethanoyl chloride
    • alphaPhenylacetyl chloride
    • alpha-Phenylacetyl chloride
    • phenyl acetic acid chloride
    • SCHEMBL1493
    • Phenylacetyl chloride, 98%
    • DTXCID6032770
    • STR00124
    • BBL011387
    • STL146489
    • AKOS000268752
    • Cloruro de fenilacetilo (Spanish DOT)
    • FP02656
    • Chlorure de phenylacetyle (French DOT)
    • s11991
    • DB-032093
    • NS00041340
    • P0129
    • EN300-65600
    • Phenylacetyl chloride [UN2577] [Corrosive]
    • Q27289593
    • F2190-0109
    • 2-Phenylacetyl Chloride; 2-Phenylethanoyl Chloride; Phenylacetic Acid Chloride; Phenylacetic Chloride; Phenylacetyl Chloride; alpha-Phenylacetyl Chloride
    • 203-146-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 324.63
    methanol 332.43
    isopropanol 186.22
    water 1.4
    ethyl acetate 670.21
    n-propanol 221.41
    acetone 1155.95
    n-butanol 180.74
    acetonitrile 571.39
    DMF 1838.84
    toluene 194.01
    isobutanol 146.67
    1,4-dioxane 929.2
    methyl acetate 640.65
    THF 1143.35
    2-butanone 716.62
    n-pentanol 129.74
    sec-butanol 163.77
    n-hexane 15.39
    ethylene glycol 119.71
    NMP 974.69
    cyclohexane 29.7
    DMSO 1339.32
    n-butyl acetate 271.38
    n-octanol 102.54
    chloroform 736.39
    n-propyl acetate 269.44
    acetic acid 428.46
    dichloromethane 878.19
    cyclohexanone 648.37
    propylene glycol 123.58
    isopropyl acetate 294.77
    DMAc 960.02
    2-ethoxyethanol 289.32
    isopentanol 160.7
    n-heptane 26.08
    ethyl formate 310.11
    1,2-dichloroethane 741.2
    n-hexanol 161.98
    2-methoxyethanol 587.09
    isobutyl acetate 162.79
    tetrachloromethane 66.25
    n-pentyl acetate 156.74
    transcutol 1632.28
    n-heptanol 80.6
    ethylbenzene 107.84
    MIBK 264.83
    2-propoxyethanol 343.56
    tert-butanol 247.57
    MTBE 266.74
    2-butoxyethanol 193.94
    propionic acid 263.32
    o-xylene 119.84
    formic acid 157.7
    diethyl ether 390.2
    m-xylene 136.97
    p-xylene 129.97
    chlorobenzene 296.94
    dimethyl carbonate 348.13
    n-octane 10.73
    formamide 385.56
    cyclopentanone 963.37
    2-pentanone 555.08
    anisole 332.6
    cyclopentyl methyl ether 406.3
    gamma-butyrolactone 951.23
    1-methoxy-2-propanol 416.92
    pyridine 737.7
    3-pentanone 424.3
    furfural 764.95
    n-dodecane 11.5
    diethylene glycol 346.84
    diisopropyl ether 99.44
    tert-amyl alcohol 189.32
    acetylacetone 721.15
    n-hexadecane 12.98
    acetophenone 287.08
    methyl propionate 552.5
    isopentyl acetate 214.72
    trichloroethylene 1281.52
    n-nonanol 92.09
    cyclohexanol 180.47
    benzyl alcohol 195.09
    2-ethylhexanol 105.6
    isooctanol 73.26
    dipropyl ether 175.71
    1,2-dichlorobenzene 274.83
    ethyl lactate 136.71
    propylene carbonate 471.15
    n-methylformamide 583.41
    2-pentanol 127.02
    n-pentane 14.35
    1-propoxy-2-propanol 239.99
    1-methoxy-2-propyl acetate 326.06
    2-(2-methoxypropoxy) propanol 267.82
    mesitylene 73.4
    ε-caprolactone 484.38
    p-cymene 70.75
    epichlorohydrin 1186.47
    1,1,1-trichloroethane 462.32
    2-aminoethanol 173.9
    morpholine-4-carbaldehyde 880.96
    sulfolane 928.07
    2,2,4-trimethylpentane 12.5
    2-methyltetrahydrofuran 673.18
    n-hexyl acetate 242.39
    isooctane 11.34
    2-(2-butoxyethoxy)ethanol 358.48
    sec-butyl acetate 176.83
    tert-butyl acetate 304.4
    decalin 25.25
    glycerin 176.12
    diglyme 761.93
    acrylic acid 267.93
    isopropyl myristate 101.16
    n-butyric acid 307.34
    acetyl acetate 403.28
    di(2-ethylhexyl) phthalate 100.03
    ethyl propionate 270.93
    nitromethane 1057.45
    1,2-diethoxyethane 397.62
    benzonitrile 270.08
    trioctyl phosphate 72.85
    1-bromopropane 253.54
    gamma-valerolactone 990.22
    n-decanol 73.3
    triethyl phosphate 111.79
    4-methyl-2-pentanol 86.39
    propionitrile 304.68
    vinylene carbonate 407.76
    1,1,2-trichlorotrifluoroethane 554.53
    DMS 342.43
    cumene 69.24
    2-octanol 61.58
    2-hexanone 290.77
    octyl acetate 127.04
    limonene 106.74
    1,2-dimethoxyethane 616.28
    ethyl orthosilicate 101.42
    tributyl phosphate 95.4
    diacetone alcohol 351.45
    N,N-dimethylaniline 199.33
    acrylonitrile 445.76
    aniline 249.05
    1,3-propanediol 212.41
    bromobenzene 295.27
    dibromomethane 439.92
    1,1,2,2-tetrachloroethane 837.78
    2-methyl-cyclohexyl acetate 159.23
    tetrabutyl urea 135.03
    diisobutyl methanol 74.33
    2-phenylethanol 192.38
    styrene 150.65
    dioctyl adipate 170.12
    dimethyl sulfate 498.27
    ethyl butyrate 205.07
    methyl lactate 256.24
    butyl lactate 135.94
    diethyl carbonate 157.37
    propanediol butyl ether 220.48
    triethyl orthoformate 145.31
    p-tert-butyltoluene 70.64
    methyl 4-tert-butylbenzoate 234.11
    morpholine 884.94
    tert-butylamine 134.99
    n-dodecanol 59.29
    dimethoxymethane 829.54
    ethylene carbonate 328.08
    cyrene 238.39
    2-ethoxyethyl acetate 320.07
    2-ethylhexyl acetate 176.32
    1,2,4-trichlorobenzene 319.31
    4-methylpyridine 556.65
    dibutyl ether 145.42
    2,6-dimethyl-4-heptanol 74.33
    DEF 577.71
    dimethyl isosorbide 444.94
    tetrachloroethylene 471.07
    eugenol 230.13
    triacetin 301.43
    span 80 202.33
    1,4-butanediol 92.08
    1,1-dichloroethane 526.34
    2-methyl-1-pentanol 122.94
    methyl formate 509.42
    2-methyl-1-butanol 143.46
    n-decane 16.81
    butyronitrile 265.02
    3,7-dimethyl-1-octanol 109.98
    1-chlorooctane 78.24
    1-chlorotetradecane 37.99
    n-nonane 15.37
    undecane 13.63
    tert-butylcyclohexane 22.94
    cyclooctane 11.83
    cyclopentanol 228.26
    tetrahydropyran 670.93
    tert-amyl methyl ether 204.99
    2,5,8-trioxanonane 515.04
    1-hexene 79.91
    2-isopropoxyethanol 198.01
    2,2,2-trifluoroethanol 176.49
    methyl butyrate 331.57

    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