Phenoxyacetic acid

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  • Identifiers

    CAS number
    122-59-8

    Molecular formula
    C8H8O3

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

  • Odor profile

    Sweet 63.53%
    Honey 58.93%
    Balsamic 41.22%
    Floral 36.68%
    Phenolic 35.91%
    Powdery 33.44%
    Fatty 29.94%
    Green 28.38%
    Caramellic 28.09%
    Creamy 27.31%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 98 - 99 °C

    Boiling point

    • 285.00 °C. @ 760.00 mm Hg

    Flash point est.
    142.58 ˚C

    Solubility expt.

    • 12 mg/mL at 10 °C

  • Synonyms

    • PHENOXYACETIC ACID
    • 122-59-8
    • 2-phenoxyacetic acid
    • Phenoxyethanoic acid
    • Acetic acid, phenoxy-
    • Glycolic acid phenyl ether
    • Phenoxy acetic acid
    • o-Phenylglycolic acid
    • Phenoxyacetate
    • Glycol acid phenyl ether
    • Acetic acid, 2-phenoxy-
    • Phenyl ether glycolic acid
    • Glycollic acid phenyl ether
    • Acide phenoxyacetique
    • Glycolic acid, phenyl ether
    • Phenoxyessigsaeure
    • Phenylglycolic acid, O-
    • Phenoxy-Acetic Acid
    • 2-phenoxy-acetic acid
    • Acide phenoxyacetique [French]
    • FEMA No. 2872
    • POA
    • phenoxacetic acid
    • NSC 9810
    • MFCD00004296
    • CHEBI:8075
    • 2-phenoxyethanoic acid
    • DTXSID9025873
    • YRC253429Q
    • NSC-9810
    • NCGC00091151-01
    • DTXCID405873
    • CAS-122-59-8
    • CCRIS 7275
    • EINECS 204-556-7
    • BRN 0907949
    • UNII-YRC253429Q
    • AI3-06295
    • Phenxoyacetic acid
    • Phenoxymethylpenicillin Potassium Imp. B (EP); Phenoxymethylpenicillin Imp. B (EP); Phenoxyacetic Acid; Phenoxymethylpenicillin Potassium Impurity B; Phenoxymethylpenicillin Impurity B
    • Phenoxyacetic acid, 98%
    • bmse000742
    • Epitope ID:122699
    • SCHEMBL8127
    • 4-06-00-00634 (Beilstein Handbook Reference)
    • MLS002454438
    • Phenoxyacetic acid (Standard)
    • CHEMBL173521
    • PHENOXYACETIC ACID [MI]
    • FEMA 2872
    • HY-Y0267R
    • LCPDWSOZIOUXRV-UHFFFAOYSA-
    • NSC9810
    • PHENOXYACETIC ACID [FHFI]
    • HMS1783L04
    • HMS3039A16
    • HY-Y0267
    • Tox21_111092
    • Tox21_201854
    • Tox21_303164
    • BBL015276
    • STK300005
    • AKOS000103786
    • Tox21_111092_1
    • BS-3837
    • NCGC00091151-02
    • NCGC00091151-04
    • NCGC00257086-01
    • NCGC00259403-01
    • SMR001372021
    • CS-0013736
    • NS00000984
    • P0107
    • EN300-18122
    • C02181
    • D70383
    • SBI-0653915.0001
    • AC-907/25014208
    • AE-641/00012030
    • Q904253
    • SR-01000854537
    • SR-01000854537-2
    • Phenoxyacetic acid, PESTANAL(R), analytical standard
    • Z57182011
    • F0777-0784
    • PHENOXYMETHYLPENICILLIN IMPURITY B [EP IMPURITY]
    • PHENOXYMETHYLPENICILLIN POTASSIUM IMPURITY B [EP IMPURITY]
    • InChI=1/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
    • PHENOXYMETHYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY B [EP IMPURITY]
    • 06Y

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 421.13
    methanol 776.89
    isopropanol 209.2
    water 12.9
    ethyl acetate 92.36
    n-propanol 192.01
    acetone 340.37
    n-butanol 133.49
    acetonitrile 84.26
    DMF 761.77
    toluene 7.41
    isobutanol 109.14
    1,4-dioxane 150.71
    methyl acetate 138.78
    THF 294.39
    2-butanone 155.12
    n-pentanol 92.06
    sec-butanol 144.65
    n-hexane 1.07
    ethylene glycol 298.52
    NMP 372.79
    cyclohexane 1.53
    DMSO 1381.55
    n-butyl acetate 60.83
    n-octanol 33.33
    chloroform 7.02
    n-propyl acetate 65.18
    acetic acid 211.66
    dichloromethane 17.38
    cyclohexanone 114.67
    propylene glycol 219.71
    isopropyl acetate 45.46
    DMAc 614.63
    2-ethoxyethanol 281.01
    isopentanol 114.55
    n-heptane 2.8
    ethyl formate 74.38
    1,2-dichloroethane 31.35
    n-hexanol 65.43
    2-methoxyethanol 538.73
    isobutyl acetate 28.91
    tetrachloromethane 2.47
    n-pentyl acetate 24.88
    transcutol 649.81
    n-heptanol 26.71
    ethylbenzene 9.95
    MIBK 60.94
    2-propoxyethanol 152.69
    tert-butanol 282.9
    MTBE 87.01
    2-butoxyethanol 74.48
    propionic acid 148.39
    o-xylene 14.47
    formic acid 254.33
    diethyl ether 53.89
    m-xylene 11.72
    p-xylene 11.89
    chlorobenzene 10.28
    dimethyl carbonate 62.68
    n-octane 1.08
    formamide 511.73
    cyclopentanone 203.75
    2-pentanone 110.94
    anisole 56.82
    cyclopentyl methyl ether 83.23
    gamma-butyrolactone 248.27
    1-methoxy-2-propanol 272.75
    pyridine 57.05
    3-pentanone 60.34
    furfural 176.79
    n-dodecane 1.36
    diethylene glycol 218.71
    diisopropyl ether 15.7
    tert-amyl alcohol 190.99
    acetylacetone 126.43
    n-hexadecane 1.47
    acetophenone 60.9
    methyl propionate 104.13
    isopentyl acetate 50.36
    trichloroethylene 42.73
    n-nonanol 28.88
    cyclohexanol 65.13
    benzyl alcohol 59.04
    2-ethylhexanol 36.9
    isooctanol 23.16
    dipropyl ether 32.13
    1,2-dichlorobenzene 15.45
    ethyl lactate 55.76
    propylene carbonate 95.37
    n-methylformamide 397.01
    2-pentanol 77.49
    n-pentane 1.33
    1-propoxy-2-propanol 100.57
    1-methoxy-2-propyl acetate 73.39
    2-(2-methoxypropoxy) propanol 113.97
    mesitylene 9.44
    ε-caprolactone 105.01
    p-cymene 12.9
    epichlorohydrin 218.58
    1,1,1-trichloroethane 13.3
    2-aminoethanol 341.51
    morpholine-4-carbaldehyde 293.59
    sulfolane 370.05
    2,2,4-trimethylpentane 2.38
    2-methyltetrahydrofuran 166.08
    n-hexyl acetate 45.51
    isooctane 1.77
    2-(2-butoxyethoxy)ethanol 148.58
    sec-butyl acetate 35.97
    tert-butyl acetate 62.75
    decalin 2.37
    glycerin 273.4
    diglyme 276.18
    acrylic acid 140.08
    isopropyl myristate 20.1
    n-butyric acid 106.52
    acetyl acetate 46.49
    di(2-ethylhexyl) phthalate 26.46
    ethyl propionate 53.31
    nitromethane 420.88
    1,2-diethoxyethane 86.69
    benzonitrile 37.69
    trioctyl phosphate 19.24
    1-bromopropane 10.21
    gamma-valerolactone 225.51
    n-decanol 22.52
    triethyl phosphate 31.3
    4-methyl-2-pentanol 41.7
    propionitrile 55.58
    vinylene carbonate 69.11
    1,1,2-trichlorotrifluoroethane 158.1
    DMS 58.02
    cumene 10.2
    2-octanol 17.38
    2-hexanone 65.14
    octyl acetate 27.32
    limonene 18.62
    1,2-dimethoxyethane 276.55
    ethyl orthosilicate 27.81
    tributyl phosphate 25.55
    diacetone alcohol 144.18
    N,N-dimethylaniline 46.9
    acrylonitrile 92.02
    aniline 33.46
    1,3-propanediol 285.8
    bromobenzene 6.98
    dibromomethane 8.98
    1,1,2,2-tetrachloroethane 36.16
    2-methyl-cyclohexyl acetate 40.83
    tetrabutyl urea 41.37
    diisobutyl methanol 23.46
    2-phenylethanol 47.6
    styrene 10.52
    dioctyl adipate 38.15
    dimethyl sulfate 139.03
    ethyl butyrate 48.79
    methyl lactate 100.9
    butyl lactate 41.14
    diethyl carbonate 37.4
    propanediol butyl ether 107.92
    triethyl orthoformate 36.39
    p-tert-butyltoluene 12.28
    methyl 4-tert-butylbenzoate 56.89
    morpholine 233.28
    tert-butylamine 96.96
    n-dodecanol 17.02
    dimethoxymethane 236.41
    ethylene carbonate 56.06
    cyrene 99.94
    2-ethoxyethyl acetate 52.96
    2-ethylhexyl acetate 35.67
    1,2,4-trichlorobenzene 22.97
    4-methylpyridine 54.88
    dibutyl ether 27.82
    2,6-dimethyl-4-heptanol 23.46
    DEF 166.78
    dimethyl isosorbide 142.08
    tetrachloroethylene 24.51
    eugenol 59.92
    triacetin 67.7
    span 80 66.7
    1,4-butanediol 136.61
    1,1-dichloroethane 13.15
    2-methyl-1-pentanol 79.29
    methyl formate 232.9
    2-methyl-1-butanol 111.08
    n-decane 1.89
    butyronitrile 50.24
    3,7-dimethyl-1-octanol 34.74
    1-chlorooctane 8.96
    1-chlorotetradecane 4.42
    n-nonane 1.69
    undecane 1.57
    tert-butylcyclohexane 2.78
    cyclooctane 0.85
    cyclopentanol 99.38
    tetrahydropyran 80.38
    tert-amyl methyl ether 73.65
    2,5,8-trioxanonane 195.86
    1-hexene 6.89
    2-isopropoxyethanol 153.63
    2,2,2-trifluoroethanol 82.63
    methyl butyrate 79.92

    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