Phenacyl bromide

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  • Identifiers

    CAS number
    70-11-1

    Molecular formula
    C8H7BrO

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 54.47%
    Balsamic 37.7%
    Honey 36.84%
    Caramellic 34.74%
    Spicy 34.24%
    Floral 34.17%
    Vanilla 32.89%
    Almond 32.55%
    Creamy 28.51%
    Bitter 28.38%

     

    Flavor
    Odorless 31.22%
    Mild 29.96%
    Bitter 26.34%
    Nutty 25.37%
    Faint 22.9%
    Phenolic 22.14%
    Urine 22.06%
    Honey 21.5%
    Nitrile 21.41%
    Cooked 21.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.86 (neutral)

    Molecular weight
    199.04 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 98.0 ˚C est.

  • Synonyms

    • 2-Bromoacetophenone
    • 70-11-1
    • Phenacyl bromide
    • 2-Bromo-1-phenylethanone
    • Bromoacetophenone
    • Bromomethyl phenyl ketone
    • Ethanone, 2-bromo-1-phenyl-
    • 2-Bromo-1-Phenylethan-1-One
    • ALPHA-BROMOACETOPHENONE
    • omega-Bromoacetophenone
    • Acetophenone, 2-bromo-
    • Stauffer 4644
    • phenacylbromide
    • a-bromoacetophenone
    • Benzoylmethyl bromide
    • omega-Bromacetophenone
    • alpha-bromo-acetophenone
    • .alpha.-Bromoacetophenone
    • .omega.-Bromoacetophenone
    • 2-bromo-1-phenyl-ethanone
    • NSC 9807
    • UN2645
    • CCRIS 6892
    • .omega.-Bromacetophenone
    • EINECS 200-724-9
    • MFCD00000195
    • DTXSID2049426
    • CHEBI:51846
    • phenyl bromomethyl ketone
    • NSC-9807
    • 1-phenyl-2-bromoethanone
    • 2-BROMACETOPHENONE
    • 754Y0U325I
    • STAUFFER-4644
    • CHEMBL102953
    • DTXCID1029386
    • Halomethyl Phenyl Ketone deriv. 23
    • 1-BROMO-2-PHENYLETHAN-2-ONE
    • .OMEGA.-BROMOACETOPHENONE [MI]
    • UN-2645
    • phenacylbromid
    • UNII-754Y0U325I
    • 2bromoacetophenone
    • bromo-acetophenone
    • w-bromoacetophenone
    • omegaBromacetophenone
    • 2-bromo acetophenone
    • 2-bromo-acetophenone
    • 2-bromoaceto-phenone
    • alpha-bromacetophenone
    • beta-bromoacetophenone
    • 2Bromo1phenylethanone
    • Acetophenone, 2bromo
    • alphabromo-acetophenone
    • omega-bromo-acetophenone
    • Ethanone, 2bromo1phenyl
    • 2-bromo-1 -phenylethanone
    • 2-Bromoacetophenone, 98%
    • SCHEMBL7621
    • Acetophenone, 2bromo (8CI)
    • 2-bromo-1-phenyl-1-ethanone
    • Acetophenone, 2-bromo-(8CI)
    • BDBM7875
    • NSC9807
    • CS-D1425
    • STR01109
    • Tox21_202941
    • STK397322
    • AKOS000210403
    • UN 2645
    • 2-Bromoacetophenone, analytical standard
    • CAS-70-11-1
    • NCGC00260487-01
    • Phenacyl bromide [UN2645] [Poison]
    • AC-22360
    • PD136239
    • 2-Bromo-1-phenylethanone; Phenacyl bromide
    • DB-001220
    • A5508
    • B0535
    • NS00037007
    • P1782
    • A23180
    • AC-907/25014200
    • Q310709
    • doi:10.14272/LIGACIXOYTUXAW-UHFFFAOYSA-N.1
    • 2-Bromoacetophenone, for GC derivatization, >=99.0%
    • 200-724-9

  • Applications

    Phenacyl bromide, CAS 70-11-1, is a versatile electrophilic reagent and synthetic intermediate in organic chemistry, enabling the formation of phenacyl derivatives such as phenacyl ethers and thioethers as well as related ketones. These derivatives often serve as building blocks for pharmaceutical and agrochemical manufacturing, and are also used in the production of dyes/pigments and specialized polymer materials. In polymer and coating contexts, it can be employed to introduce photoreactive or crosslinkable functionalities into resins and coatings. It is also encountered in analytical or labeling research for derivatization of samples. Practical applications are subject to local regulations and formulation/process limitations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.09
    methanol 83.97
    isopropanol 67.83
    water 1.5
    ethyl acetate 160.34
    n-propanol 78.09
    acetone 289.37
    n-butanol 76.08
    acetonitrile 158.53
    DMF 307.66
    toluene 159.0
    isobutanol 65.62
    1,4-dioxane 350.24
    methyl acetate 177.13
    THF 358.47
    2-butanone 186.31
    n-pentanol 88.57
    sec-butanol 69.33
    n-hexane 39.34
    ethylene glycol 47.2
    NMP 304.45
    cyclohexane 70.68
    DMSO 352.65
    n-butyl acetate 162.34
    n-octanol 86.47
    chloroform 665.54
    n-propyl acetate 170.23
    acetic acid 164.32
    dichloromethane 637.44
    cyclohexanone 293.75
    propylene glycol 33.18
    isopropyl acetate 117.42
    DMAc 247.34
    2-ethoxyethanol 162.24
    isopentanol 79.22
    n-heptane 47.26
    ethyl formate 116.37
    1,2-dichloroethane 401.55
    n-hexanol 102.08
    2-methoxyethanol 170.13
    isobutyl acetate 123.81
    tetrachloromethane 150.91
    n-pentyl acetate 135.33
    transcutol 574.03
    n-heptanol 80.07
    ethylbenzene 108.37
    MIBK 123.6
    2-propoxyethanol 169.88
    tert-butanol 95.29
    MTBE 110.12
    2-butoxyethanol 143.98
    propionic acid 101.5
    o-xylene 106.04
    formic acid 56.63
    diethyl ether 153.66
    m-xylene 113.08
    p-xylene 129.14
    chlorobenzene 210.93
    dimethyl carbonate 103.88
    n-octane 25.05
    formamide 111.93
    cyclopentanone 338.37
    2-pentanone 169.72
    anisole 201.65
    cyclopentyl methyl ether 197.09
    gamma-butyrolactone 321.98
    1-methoxy-2-propanol 128.76
    pyridine 322.49
    3-pentanone 149.1
    furfural 335.16
    n-dodecane 19.62
    diethylene glycol 160.36
    diisopropyl ether 69.96
    tert-amyl alcohol 85.74
    acetylacetone 236.87
    n-hexadecane 22.48
    acetophenone 194.69
    methyl propionate 138.52
    isopentyl acetate 144.87
    trichloroethylene 699.85
    n-nonanol 78.45
    cyclohexanol 117.92
    benzyl alcohol 142.18
    2-ethylhexanol 89.9
    isooctanol 75.47
    dipropyl ether 128.1
    1,2-dichlorobenzene 205.67
    ethyl lactate 82.81
    propylene carbonate 192.49
    n-methylformamide 131.56
    2-pentanol 67.53
    n-pentane 34.39
    1-propoxy-2-propanol 130.61
    1-methoxy-2-propyl acetate 150.65
    2-(2-methoxypropoxy) propanol 141.42
    mesitylene 80.94
    ε-caprolactone 232.32
    p-cymene 81.17
    epichlorohydrin 378.8
    1,1,1-trichloroethane 340.03
    2-aminoethanol 65.3
    morpholine-4-carbaldehyde 321.11
    sulfolane 348.63
    2,2,4-trimethylpentane 21.34
    2-methyltetrahydrofuran 258.76
    n-hexyl acetate 157.16
    isooctane 18.49
    2-(2-butoxyethoxy)ethanol 189.55
    sec-butyl acetate 118.03
    tert-butyl acetate 136.08
    decalin 43.44
    glycerin 65.18
    diglyme 390.87
    acrylic acid 114.37
    isopropyl myristate 81.35
    n-butyric acid 121.96
    acetyl acetate 139.17
    di(2-ethylhexyl) phthalate 75.37
    ethyl propionate 133.65
    nitromethane 292.08
    1,2-diethoxyethane 227.0
    benzonitrile 187.78
    trioctyl phosphate 56.07
    1-bromopropane 194.67
    gamma-valerolactone 341.92
    n-decanol 62.51
    triethyl phosphate 81.46
    4-methyl-2-pentanol 57.82
    propionitrile 115.4
    vinylene carbonate 196.17
    1,1,2-trichlorotrifluoroethane 261.33
    DMS 150.31
    cumene 77.91
    2-octanol 67.14
    2-hexanone 172.59
    octyl acetate 89.16
    limonene 103.22
    1,2-dimethoxyethane 324.62
    ethyl orthosilicate 81.43
    tributyl phosphate 66.03
    diacetone alcohol 144.88
    N,N-dimethylaniline 147.94
    acrylonitrile 160.88
    aniline 140.37
    1,3-propanediol 78.5
    bromobenzene 243.4
    dibromomethane 427.86
    1,1,2,2-tetrachloroethane 499.49
    2-methyl-cyclohexyl acetate 122.13
    tetrabutyl urea 95.38
    diisobutyl methanol 69.08
    2-phenylethanol 135.69
    styrene 138.77
    dioctyl adipate 108.47
    dimethyl sulfate 161.93
    ethyl butyrate 136.11
    methyl lactate 80.42
    butyl lactate 102.87
    diethyl carbonate 99.82
    propanediol butyl ether 124.53
    triethyl orthoformate 106.42
    p-tert-butyltoluene 76.63
    methyl 4-tert-butylbenzoate 154.24
    morpholine 282.17
    tert-butylamine 74.17
    n-dodecanol 52.46
    dimethoxymethane 213.65
    ethylene carbonate 153.81
    cyrene 163.15
    2-ethoxyethyl acetate 178.36
    2-ethylhexyl acetate 132.14
    1,2,4-trichlorobenzene 228.51
    4-methylpyridine 246.09
    dibutyl ether 119.76
    2,6-dimethyl-4-heptanol 69.08
    DEF 186.11
    dimethyl isosorbide 242.9
    tetrachloroethylene 400.93
    eugenol 160.7
    triacetin 173.23
    span 80 127.93
    1,4-butanediol 56.78
    1,1-dichloroethane 304.33
    2-methyl-1-pentanol 90.62
    methyl formate 136.06
    2-methyl-1-butanol 71.26
    n-decane 29.36
    butyronitrile 117.09
    3,7-dimethyl-1-octanol 83.71
    1-chlorooctane 85.59
    1-chlorotetradecane 42.22
    n-nonane 30.58
    undecane 23.09
    tert-butylcyclohexane 35.9
    cyclooctane 32.52
    cyclopentanol 121.72
    tetrahydropyran 267.6
    tert-amyl methyl ether 102.12
    2,5,8-trioxanonane 259.01
    1-hexene 88.41
    2-isopropoxyethanol 142.75
    2,2,2-trifluoroethanol 88.84
    methyl butyrate 170.15

    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