Benzeneacetic acid, 2-hydroxypropyl ester

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  • Identifiers

    CAS number
    80550-09-0

    Molecular formula
    C11H14O3

    SMILES
    CC(COC(=O)CC1=CC=CC=C1)O

  • Odor profile

    Fragrance
    Honey 61.97%
    Sweet 51.89%
    Floral 50.49%
    Balsamic 39.69%
    Rose 38.28%
    Fruity 35.61%
    Fatty 31.37%
    Powdery 27.61%
    Chocolate 26.86%
    Caramellic 26.33%

     

    Flavor
    Sweet 83.67%
    Floral 66.89%
    Fruity 61.54%
    Honey 47.27%
    Rose 44.93%
    Waxy 35.14%
    Bitter 34.03%
    Tropical 33.36%
    Balsam 32.94%
    Chocolate 32.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.12 (weak base)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point

    • 151.25 ˚C est.

  • Synonyms

    • 2-Hydroxypropyl phenylacetate
    • 80550-09-0
    • Benzeneacetic acid, 2-hydroxypropyl ester
    • EINECS 279-494-7
    • AI3-06529
    • DTXSID30868579
    • DMVWKGDEFQXZJS-UHFFFAOYSA-N
    • NSC67269
    • NSC 67269
    • NSC-67269
    • DS-013404
    • NS00060809

  • Applications

    Benzeneacetic acid, 2-hydroxypropyl ester (CAS 80550-09-0) is used primarily in fragrance chemistry and cosmetics as a fragrance ingredient and fixative, helping to stabilize and extend the aroma; it may also serve as a solvent or co-solvent in personal care formulations and as a fragrance carrier for active ingredients; in consumer household products it functions as a solvent and odor carrier in scented cleaners and air fresheners; in industrial manufacturing it is used as an intermediate in the synthesis of other fragrance compounds or specialty esters; in the polymers/plastics and coatings/inks sectors it can act as a processing aid or solvent to improve flow and cure characteristics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 384.54
    methanol 740.98
    isopropanol 184.25
    water 8.84
    ethyl acetate 73.45
    n-propanol 190.07
    acetone 229.78
    n-butanol 128.72
    acetonitrile 100.89
    DMF 680.76
    toluene 11.65
    isobutanol 97.24
    1,4-dioxane 220.0
    methyl acetate 108.38
    THF 200.41
    2-butanone 99.06
    n-pentanol 107.1
    sec-butanol 107.39
    n-hexane 1.24
    ethylene glycol 298.61
    NMP 172.08
    cyclohexane 1.55
    DMSO 662.16
    n-butyl acetate 55.55
    n-octanol 38.41
    chloroform 104.1
    n-propyl acetate 54.57
    acetic acid 358.03
    dichloromethane 82.25
    cyclohexanone 99.98
    propylene glycol 289.59
    isopropyl acetate 44.37
    DMAc 560.92
    2-ethoxyethanol 319.01
    isopentanol 102.79
    n-heptane 1.38
    ethyl formate 78.71
    1,2-dichloroethane 77.09
    n-hexanol 82.68
    2-methoxyethanol 532.26
    isobutyl acetate 43.22
    tetrachloromethane 6.75
    n-pentyl acetate 25.33
    transcutol 584.28
    n-heptanol 34.82
    ethylbenzene 15.65
    MIBK 56.42
    2-propoxyethanol 198.15
    tert-butanol 218.04
    MTBE 68.18
    2-butoxyethanol 97.83
    propionic acid 141.65
    o-xylene 15.29
    formic acid 296.31
    diethyl ether 44.77
    m-xylene 15.29
    p-xylene 19.75
    chlorobenzene 28.66
    dimethyl carbonate 52.34
    n-octane 0.99
    formamide 314.95
    cyclopentanone 122.3
    2-pentanone 69.19
    anisole 75.51
    cyclopentyl methyl ether 51.03
    gamma-butyrolactone 136.45
    1-methoxy-2-propanol 286.83
    pyridine 85.76
    3-pentanone 44.84
    furfural 171.71
    n-dodecane 1.68
    diethylene glycol 307.17
    diisopropyl ether 11.21
    tert-amyl alcohol 127.07
    acetylacetone 112.46
    n-hexadecane 1.81
    acetophenone 72.03
    methyl propionate 73.09
    isopentyl acetate 55.78
    trichloroethylene 142.65
    n-nonanol 33.89
    cyclohexanol 61.89
    benzyl alcohol 85.21
    2-ethylhexanol 41.29
    isooctanol 28.82
    dipropyl ether 25.97
    1,2-dichlorobenzene 36.42
    ethyl lactate 64.47
    propylene carbonate 83.15
    n-methylformamide 242.62
    2-pentanol 58.83
    n-pentane 0.81
    1-propoxy-2-propanol 114.11
    1-methoxy-2-propyl acetate 81.06
    2-(2-methoxypropoxy) propanol 123.99
    mesitylene 10.6
    ε-caprolactone 84.5
    p-cymene 13.73
    epichlorohydrin 183.0
    1,1,1-trichloroethane 35.77
    2-aminoethanol 336.98
    morpholine-4-carbaldehyde 272.19
    sulfolane 192.64
    2,2,4-trimethylpentane 1.88
    2-methyltetrahydrofuran 79.14
    n-hexyl acetate 47.3
    isooctane 1.58
    2-(2-butoxyethoxy)ethanol 170.46
    sec-butyl acetate 37.22
    tert-butyl acetate 57.37
    decalin 2.97
    glycerin 389.73
    diglyme 285.69
    acrylic acid 145.4
    isopropyl myristate 21.67
    n-butyric acid 130.4
    acetyl acetate 56.57
    di(2-ethylhexyl) phthalate 33.81
    ethyl propionate 46.73
    nitromethane 372.44
    1,2-diethoxyethane 86.38
    benzonitrile 60.76
    trioctyl phosphate 21.95
    1-bromopropane 22.19
    gamma-valerolactone 193.98
    n-decanol 26.62
    triethyl phosphate 31.59
    4-methyl-2-pentanol 41.22
    propionitrile 76.78
    vinylene carbonate 84.18
    1,1,2-trichlorotrifluoroethane 223.3
    DMS 56.83
    cumene 15.26
    2-octanol 20.01
    2-hexanone 60.55
    octyl acetate 28.54
    limonene 17.38
    1,2-dimethoxyethane 338.18
    ethyl orthosilicate 29.85
    tributyl phosphate 28.39
    diacetone alcohol 126.68
    N,N-dimethylaniline 54.37
    acrylonitrile 112.48
    aniline 45.28
    1,3-propanediol 327.56
    bromobenzene 20.92
    dibromomethane 40.86
    1,1,2,2-tetrachloroethane 140.38
    2-methyl-cyclohexyl acetate 43.7
    tetrabutyl urea 41.87
    diisobutyl methanol 24.4
    2-phenylethanol 64.54
    styrene 19.95
    dioctyl adipate 42.06
    dimethyl sulfate 106.69
    ethyl butyrate 42.31
    methyl lactate 98.65
    butyl lactate 44.88
    diethyl carbonate 37.7
    propanediol butyl ether 129.84
    triethyl orthoformate 36.68
    p-tert-butyltoluene 13.14
    methyl 4-tert-butylbenzoate 64.87
    morpholine 264.95
    tert-butylamine 78.58
    n-dodecanol 20.9
    dimethoxymethane 211.57
    ethylene carbonate 64.44
    cyrene 102.35
    2-ethoxyethyl acetate 55.26
    2-ethylhexyl acetate 38.41
    1,2,4-trichlorobenzene 46.8
    4-methylpyridine 71.82
    dibutyl ether 27.52
    2,6-dimethyl-4-heptanol 24.4
    DEF 111.68
    dimethyl isosorbide 145.27
    tetrachloroethylene 76.93
    eugenol 85.25
    triacetin 72.91
    span 80 84.45
    1,4-butanediol 163.31
    1,1-dichloroethane 48.06
    2-methyl-1-pentanol 82.07
    methyl formate 174.75
    2-methyl-1-butanol 82.42
    n-decane 2.35
    butyronitrile 69.65
    3,7-dimethyl-1-octanol 39.81
    1-chlorooctane 12.8
    1-chlorotetradecane 6.47
    n-nonane 1.95
    undecane 1.94
    tert-butylcyclohexane 3.28
    cyclooctane 0.66
    cyclopentanol 66.23
    tetrahydropyran 85.39
    tert-amyl methyl ether 50.52
    2,5,8-trioxanonane 216.21
    1-hexene 10.98
    2-isopropoxyethanol 164.55
    2,2,2-trifluoroethanol 111.42
    methyl butyrate 68.05

    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