Hydroxyphenoxy propionic acid

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  • Identifiers

    CAS number
    94050-90-5

    Molecular formula
    C9H10O4

    SMILES
    C[C@H](C(=O)O)OC1=CC=C(C=C1)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Vanilla 44.32%
    Odorless 42.09%
    Phenolic 40.24%
    Creamy 40.01%
    Sweet 36.52%
    Milky 36.25%
    Caramellic 30.03%
    Dairy 29.69%
    Burnt 27.84%
    Nutty 26.46%

     

    Flavor
    Odorless 50.37%
    Mild 33.87%
    Bland 29.09%
    Very mild 28.15%
    Sour 26.59%
    Faint 23.85%
    Phenolic 22.74%
    Sweet-like 21.31%
    Creamy 21.09%
    Cadaverous 20.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    9.05 (weak base)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 161.52 ˚C est.

  • Synonyms

    • 94050-90-5
    • (R)-2-(4-Hydroxyphenoxy)propanoic acid
    • (R)-(+)-2-(4-Hydroxyphenoxy)propionic acid
    • (2R)-2-(4-hydroxyphenoxy)propanoic acid
    • Hydroxyphenoxy propionic acid
    • Radianskin PW LS
    • (R)-2-(4-Hydroxyphenoxy)propionic acid
    • Propanoic acid, 2-(4-hydroxyphenoxy)-, (2R)-
    • (R)-2-(p-hydroxyphenoxy)propionic acid
    • WSI8A5QG10
    • d-2-(4-hydroxyphenoxy)propionic acid
    • Propanoic acid, 2-(4-hydroxyphenoxy)-, (R)-
    • DTXSID20240360
    • EC 407-960-3
    • (+)-2-(4-HYDROXYPHENOXY)PROPIONIC ACID
    • RefChem:789536
    • DTXCID20162851
    • HYDROXYPHENOXY PROPIONIC ACID [INCI]
    • (R)-(+-)-2-(4-Hydroxyphenoxy)propionic acid
    • 407-960-3
    • MFCD00274088
    • (+/-)-2-(4-Hydroxyphenoxy)propionic acid
    • UNII-WSI8A5QG10
    • (R)-(+/-)-2-(4-Hydroxyphenoxy)propionic acid
    • SCHEMBL637870
    • CS-WAA0110
    • AKOS015856485
    • AE F096918
    • CS-W016000
    • FH60115
    • (R)-2-(4-Hydroxyphenoxy)propanoicacid
    • (R)-2-(p-hydroxyphenoxy)-propionic acid
    • AS-16010
    • SY030163
    • (R)-(+)-2-(Hydroxyphenoxy)propionic acid
    • r-(+)-2-(4-hydroxyphenoxy)propionic acid
    • H0937
    • NS00008940
    • EN300-301901
    • F11282
    • 050H905
    • F238977
    • (R)-(+)-2-(4-Hydroxyphenoxy)propionic acid, 98%
    • Q27292804
    • 94050-90-5

  • Applications

    Hydroxyphenoxy propionic acid (CAS 94050-90-5) is primarily used as an intermediate in the synthesis of aryloxyphenoxypropionic (AOPP) herbicides, a class of selective herbicides for cereal crops. It serves as a key building block for AOPP active ingredients and can be converted into derivatives such as fenoxaprop-ethyl, quizalofop-ethyl, fluazifop-butyl, or haloxyfop-methyl to furnish formulations used in agriculture (e.g., emulsifiable concentrates, granules). It is also employed in research and development to explore structure–activity relationships and as a starting material in synthetic routes for related compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 181.21
    methanol 278.15
    isopropanol 127.94
    water 11.19
    ethyl acetate 76.53
    n-propanol 89.98
    acetone 270.46
    n-butanol 72.74
    acetonitrile 38.53
    DMF 372.74
    toluene 7.63
    isobutanol 57.89
    1,4-dioxane 143.62
    methyl acetate 99.64
    THF 315.26
    2-butanone 102.53
    n-pentanol 61.99
    sec-butanol 88.91
    n-hexane 1.39
    ethylene glycol 104.59
    NMP 164.02
    cyclohexane 1.37
    DMSO 325.48
    n-butyl acetate 43.16
    n-octanol 25.94
    chloroform 4.96
    n-propyl acetate 47.38
    acetic acid 108.63
    dichloromethane 12.17
    cyclohexanone 67.28
    propylene glycol 84.53
    isopropyl acetate 51.16
    DMAc 411.72
    2-ethoxyethanol 249.01
    isopentanol 75.82
    n-heptane 2.74
    ethyl formate 67.47
    1,2-dichloroethane 17.07
    n-hexanol 41.53
    2-methoxyethanol 320.98
    isobutyl acetate 21.83
    tetrachloromethane 1.35
    n-pentyl acetate 23.77
    transcutol 251.17
    n-heptanol 25.52
    ethylbenzene 11.02
    MIBK 52.08
    2-propoxyethanol 117.53
    tert-butanol 294.31
    MTBE 116.2
    2-butoxyethanol 64.39
    propionic acid 56.23
    o-xylene 14.31
    formic acid 180.22
    diethyl ether 47.0
    m-xylene 11.14
    p-xylene 14.45
    chlorobenzene 6.06
    dimethyl carbonate 51.56
    n-octane 1.99
    formamide 326.51
    cyclopentanone 128.25
    2-pentanone 79.74
    anisole 52.56
    cyclopentyl methyl ether 56.67
    gamma-butyrolactone 157.28
    1-methoxy-2-propanol 191.86
    pyridine 30.83
    3-pentanone 42.59
    furfural 109.16
    n-dodecane 2.06
    diethylene glycol 158.87
    diisopropyl ether 17.44
    tert-amyl alcohol 201.55
    acetylacetone 114.19
    n-hexadecane 2.2
    acetophenone 49.07
    methyl propionate 66.04
    isopentyl acetate 45.84
    trichloroethylene 20.47
    n-nonanol 25.12
    cyclohexanol 41.11
    benzyl alcohol 48.9
    2-ethylhexanol 25.81
    isooctanol 22.55
    dipropyl ether 25.89
    1,2-dichlorobenzene 8.63
    ethyl lactate 39.96
    propylene carbonate 65.05
    n-methylformamide 181.33
    2-pentanol 53.17
    n-pentane 1.05
    1-propoxy-2-propanol 77.17
    1-methoxy-2-propyl acetate 68.0
    2-(2-methoxypropoxy) propanol 87.9
    mesitylene 10.29
    ε-caprolactone 70.13
    p-cymene 11.45
    epichlorohydrin 125.14
    1,1,1-trichloroethane 8.94
    2-aminoethanol 134.04
    morpholine-4-carbaldehyde 205.14
    sulfolane 174.12
    2,2,4-trimethylpentane 2.3
    2-methyltetrahydrofuran 119.84
    n-hexyl acetate 34.73
    isooctane 1.63
    2-(2-butoxyethoxy)ethanol 106.66
    sec-butyl acetate 33.31
    tert-butyl acetate 74.67
    decalin 2.3
    glycerin 132.55
    diglyme 181.06
    acrylic acid 49.55
    isopropyl myristate 19.32
    n-butyric acid 64.2
    acetyl acetate 41.29
    di(2-ethylhexyl) phthalate 23.32
    ethyl propionate 41.53
    nitromethane 234.12
    1,2-diethoxyethane 67.31
    benzonitrile 24.18
    trioctyl phosphate 17.94
    1-bromopropane 7.37
    gamma-valerolactone 155.8
    n-decanol 21.49
    triethyl phosphate 25.28
    4-methyl-2-pentanol 36.73
    propionitrile 24.82
    vinylene carbonate 48.09
    1,1,2-trichlorotrifluoroethane 80.55
    DMS 37.33
    cumene 11.1
    2-octanol 19.05
    2-hexanone 46.81
    octyl acetate 25.64
    limonene 14.38
    1,2-dimethoxyethane 281.1
    ethyl orthosilicate 24.05
    tributyl phosphate 20.72
    diacetone alcohol 134.23
    N,N-dimethylaniline 46.18
    acrylonitrile 33.47
    aniline 21.66
    1,3-propanediol 159.99
    bromobenzene 4.91
    dibromomethane 6.11
    1,1,2,2-tetrachloroethane 19.56
    2-methyl-cyclohexyl acetate 32.77
    tetrabutyl urea 36.26
    diisobutyl methanol 22.99
    2-phenylethanol 39.45
    styrene 10.75
    dioctyl adipate 29.34
    dimethyl sulfate 92.77
    ethyl butyrate 37.36
    methyl lactate 61.77
    butyl lactate 29.87
    diethyl carbonate 27.68
    propanediol butyl ether 66.93
    triethyl orthoformate 29.2
    p-tert-butyltoluene 12.1
    methyl 4-tert-butylbenzoate 51.45
    morpholine 172.59
    tert-butylamine 91.86
    n-dodecanol 17.88
    dimethoxymethane 208.58
    ethylene carbonate 42.83
    cyrene 80.98
    2-ethoxyethyl acetate 46.76
    2-ethylhexyl acetate 29.14
    1,2,4-trichlorobenzene 12.18
    4-methylpyridine 39.09
    dibutyl ether 23.92
    2,6-dimethyl-4-heptanol 22.99
    DEF 112.99
    dimethyl isosorbide 124.3
    tetrachloroethylene 12.09
    eugenol 51.85
    triacetin 45.15
    span 80 52.05
    1,4-butanediol 91.35
    1,1-dichloroethane 10.14
    2-methyl-1-pentanol 59.45
    methyl formate 152.54
    2-methyl-1-butanol 64.06
    n-decane 2.81
    butyronitrile 29.59
    3,7-dimethyl-1-octanol 28.12
    1-chlorooctane 8.7
    1-chlorotetradecane 5.06
    n-nonane 2.54
    undecane 2.4
    tert-butylcyclohexane 2.54
    cyclooctane 1.19
    cyclopentanol 57.94
    tetrahydropyran 54.07
    tert-amyl methyl ether 93.88
    2,5,8-trioxanonane 154.64
    1-hexene 7.02
    2-isopropoxyethanol 138.88
    2,2,2-trifluoroethanol 52.7
    methyl butyrate 59.97

    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