Phenylacetaldoxime

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  • Identifiers

    CAS number
    7028-48-0

    Molecular formula
    C8H9NO

    SMILES
    C1=CC=C(C=C1)CC=NO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 70.0%
    Vegetable 37.64%
    Radish 34.18%
    Pungent 31.99%
    Leafy 30.43%
    Spicy 28.88%
    Hyacinth 28.87%
    Floral 26.88%
    Fresh 25.36%
    Metallic 24.73%

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  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    258°C

    Flash point est.
    120.85 ˚C

  • Synonyms

    • Benzeneacetaldehyde, oxime
    • Phenylacetaldoxime
    • 7028-48-0
    • Phenylacetaldehyde oxime
    • phenylethanal oxime
    • EINECS 230-309-8
    • NSC 203259
    • BRN 2040645
    • phenyl acetaldehyde oxime
    • N-(2-Phenylethylidene)hydroxylamine
    • DTXSID4074352
    • CHEBI:47791
    • 4-07-00-00665 (Beilstein Handbook Reference)
    • benzylnitrone
    • anti-phenylacetaldoxime
    • Benzeneacetaldehyde oxime
    • phenylacetal-dehyde oxime
    • SCHEMBL265957
    • DTXCID8046666
    • HAA02848
    • DB-243064
    • Q27120790
    • 230-309-8

  • Applications

    Phenylacetaldoxime (CAS 7028-48-0) is a versatile synthetic intermediate: used as a protecting/holding form of phenylacetaldehyde in fragrance and pharmaceutical workflows; dehydrated to phenylacetonitrile that can be further hydrolyzed or transformed into phenylacetic acids, amides, and other derivatives for APIs, agrochemicals, and fine chemicals; catalytically reduced to give 2‑phenylethylamine as a bioactive building block; converted via hydroximoyl chloride or nitrile oxide to enable 1,3‑dipolar cycloadditions to isoxazole/isoxazoline scaffolds for medicinal and crop‑protection discovery; and employed as an oxime ligand in coordination chemistry as well as a reference/analytical standard.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 225.19
    methanol 293.68
    isopropanol 100.45
    water 0.95
    ethyl acetate 267.57
    n-propanol 161.43
    acetone 388.94
    n-butanol 109.32
    acetonitrile 156.03
    DMF 836.61
    toluene 59.2
    isobutanol 98.51
    1,4-dioxane 236.27
    methyl acetate 249.01
    THF 333.31
    2-butanone 293.93
    n-pentanol 84.4
    sec-butanol 81.57
    n-hexane 2.83
    ethylene glycol 141.21
    NMP 597.25
    cyclohexane 2.46
    DMSO 1568.22
    n-butyl acetate 146.33
    n-octanol 28.57
    chloroform 189.02
    n-propyl acetate 135.33
    acetic acid 259.63
    dichloromethane 279.29
    cyclohexanone 316.34
    propylene glycol 124.43
    isopropyl acetate 110.41
    DMAc 503.0
    2-ethoxyethanol 229.94
    isopentanol 96.29
    n-heptane 3.92
    ethyl formate 155.9
    1,2-dichloroethane 306.26
    n-hexanol 99.01
    2-methoxyethanol 454.72
    isobutyl acetate 71.14
    tetrachloromethane 31.3
    n-pentyl acetate 52.29
    transcutol 1252.91
    n-heptanol 35.04
    ethylbenzene 37.92
    MIBK 113.84
    2-propoxyethanol 237.74
    tert-butanol 133.59
    MTBE 77.65
    2-butoxyethanol 107.31
    propionic acid 265.43
    o-xylene 49.03
    formic acid 167.96
    diethyl ether 62.88
    m-xylene 58.13
    p-xylene 42.13
    chlorobenzene 117.01
    dimethyl carbonate 129.52
    n-octane 1.23
    formamide 393.71
    cyclopentanone 588.04
    2-pentanone 217.43
    anisole 130.07
    cyclopentyl methyl ether 169.19
    gamma-butyrolactone 732.07
    1-methoxy-2-propanol 278.86
    pyridine 276.99
    3-pentanone 149.58
    furfural 486.82
    n-dodecane 1.2
    diethylene glycol 237.42
    diisopropyl ether 21.97
    tert-amyl alcohol 100.48
    acetylacetone 286.7
    n-hexadecane 1.38
    acetophenone 137.77
    methyl propionate 282.19
    isopentyl acetate 115.65
    trichloroethylene 622.03
    n-nonanol 26.04
    cyclohexanol 72.11
    benzyl alcohol 116.31
    2-ethylhexanol 56.72
    isooctanol 30.43
    dipropyl ether 64.34
    1,2-dichlorobenzene 124.15
    ethyl lactate 73.88
    propylene carbonate 273.89
    n-methylformamide 527.42
    2-pentanol 58.55
    n-pentane 1.83
    1-propoxy-2-propanol 158.86
    1-methoxy-2-propyl acetate 176.1
    2-(2-methoxypropoxy) propanol 127.63
    mesitylene 31.22
    ε-caprolactone 253.14
    p-cymene 26.82
    epichlorohydrin 738.85
    1,1,1-trichloroethane 172.74
    2-aminoethanol 206.54
    morpholine-4-carbaldehyde 467.43
    sulfolane 911.95
    2,2,4-trimethylpentane 2.79
    2-methyltetrahydrofuran 261.26
    n-hexyl acetate 81.92
    isooctane 2.86
    2-(2-butoxyethoxy)ethanol 208.69
    sec-butyl acetate 74.14
    tert-butyl acetate 125.19
    decalin 4.9
    glycerin 206.13
    diglyme 403.13
    acrylic acid 249.04
    isopropyl myristate 27.28
    n-butyric acid 250.88
    acetyl acetate 121.54
    di(2-ethylhexyl) phthalate 36.71
    ethyl propionate 131.38
    nitromethane 726.4
    1,2-diethoxyethane 172.89
    benzonitrile 132.77
    trioctyl phosphate 25.21
    1-bromopropane 61.51
    gamma-valerolactone 608.4
    n-decanol 19.78
    triethyl phosphate 45.32
    4-methyl-2-pentanol 40.95
    propionitrile 128.13
    vinylene carbonate 222.7
    1,1,2-trichlorotrifluoroethane 458.44
    DMS 121.97
    cumene 28.11
    2-octanol 18.09
    2-hexanone 122.1
    octyl acetate 37.62
    limonene 35.97
    1,2-dimethoxyethane 264.18
    ethyl orthosilicate 42.13
    tributyl phosphate 35.23
    diacetone alcohol 204.57
    N,N-dimethylaniline 80.47
    acrylonitrile 242.35
    aniline 140.43
    1,3-propanediol 213.6
    bromobenzene 99.95
    dibromomethane 123.49
    1,1,2,2-tetrachloroethane 418.55
    2-methyl-cyclohexyl acetate 71.78
    tetrabutyl urea 51.71
    diisobutyl methanol 32.14
    2-phenylethanol 103.09
    styrene 47.87
    dioctyl adipate 54.0
    dimethyl sulfate 289.24
    ethyl butyrate 108.7
    methyl lactate 141.57
    butyl lactate 67.4
    diethyl carbonate 70.56
    propanediol butyl ether 127.82
    triethyl orthoformate 63.04
    p-tert-butyltoluene 24.58
    methyl 4-tert-butylbenzoate 90.82
    morpholine 357.65
    tert-butylamine 59.49
    n-dodecanol 14.98
    dimethoxymethane 305.29
    ethylene carbonate 165.79
    cyrene 125.85
    2-ethoxyethyl acetate 117.46
    2-ethylhexyl acetate 81.18
    1,2,4-trichlorobenzene 162.15
    4-methylpyridine 240.6
    dibutyl ether 36.59
    2,6-dimethyl-4-heptanol 32.14
    DEF 283.34
    dimethyl isosorbide 219.7
    tetrachloroethylene 270.81
    eugenol 99.61
    triacetin 110.83
    span 80 91.96
    1,4-butanediol 79.47
    1,1-dichloroethane 163.63
    2-methyl-1-pentanol 75.83
    methyl formate 345.75
    2-methyl-1-butanol 92.45
    n-decane 1.74
    butyronitrile 101.3
    3,7-dimethyl-1-octanol 39.41
    1-chlorooctane 14.91
    1-chlorotetradecane 5.77
    n-nonane 1.5
    undecane 1.45
    tert-butylcyclohexane 5.5
    cyclooctane 1.41
    cyclopentanol 114.31
    tetrahydropyran 141.58
    tert-amyl methyl ether 65.23
    2,5,8-trioxanonane 245.8
    1-hexene 20.11
    2-isopropoxyethanol 137.81
    2,2,2-trifluoroethanol 120.18
    methyl butyrate 172.27

    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
Genet headspace 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 2.0%
False acacia headspace (Black locust) Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 1.0%
Honeysuckle headspace Lonicera caprifoleum L., fam. Caprifoliaceae 0.1%
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 0.5%
Lemon flower headspace (clone ZH) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 8.4%