Acetic acid, 2-phenoxy-, ethyl ester

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  • Identifiers

    CAS number
    2555-49-9

    Molecular formula
    C10H12O3

    SMILES
    CCOC(=O)COC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 62.22%
    Fruity 58.51%
    Honey 55.92%
    Green 48.49%
    Rose 47.46%
    Sweet 46.77%
    Balsamic 38.77%
    Spicy 33.15%
    Herbal 32.59%
    Powdery 31.09%

     

    Flavor
    Fruity 75.53%
    Sweet 68.47%
    Floral 58.31%
    Balsam 57.06%
    Rose 39.32%
    Bitter 38.13%
    Plum 38.01%
    Apricot 37.26%
    Chocolate 36.5%
    Honey 36.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.38 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 113.58 ˚C est.

  • Synonyms

    • ETHYL PHENOXYACETATE
    • ethyl 2-phenoxyacetate
    • 2555-49-9
    • Phenoxyacetic Acid Ethyl Ester
    • Acetic acid, phenoxy-, ethyl ester
    • EINECS 219-867-3
    • MFCD00026895
    • Acetic acid, 2-phenoxy-, ethyl ester
    • AI3-04110
    • Phenoxy-acetic acid ethyl ester
    • DTXSID3062520
    • Phenoxy-d5-aceticAcidEthylEster
    • Phenoxyacetic acid, ethyl ester
    • Ethyl phenoxyacetate, 98%
    • SCHEMBL377638
    • DTXCID9037329
    • AKOS005068225
    • AS-57728
    • SY017862
    • DB-046726
    • CS-0037469
    • NS00012453
    • P1340
    • 219-867-3

  • Applications

    Acetic acid, 2-phenoxy-, ethyl ester (CAS 2555-49-9) is used primarily as a fragrance ingredient, contributing floral and fruity notes in perfumery and personal-care formulations, and it also serves as an intermediate in the synthesis of other fragrance compounds and specialty esters. In cosmetics and personal-care products, it is used as a fragrance component and may act as a solvent or processing aid in certain formulations. In industrial manufacturing, it can function as a building block for ester synthesis and as a processing aid in coatings and inks. It may appear in household cleaning products as an odorant or fragrance additive, and under controlled conditions it can serve as an intermediate in related polymer or plasticizer chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.88
    methanol 421.49
    isopropanol 105.61
    water 0.97
    ethyl acetate 398.77
    n-propanol 137.34
    acetone 460.24
    n-butanol 121.18
    acetonitrile 496.75
    DMF 631.83
    toluene 131.62
    isobutanol 85.08
    1,4-dioxane 673.12
    methyl acetate 319.35
    THF 480.35
    2-butanone 252.41
    n-pentanol 96.34
    sec-butanol 89.9
    n-hexane 14.7
    ethylene glycol 114.82
    NMP 382.46
    cyclohexane 42.0
    DMSO 1239.9
    n-butyl acetate 200.72
    n-octanol 39.08
    chloroform 933.95
    n-propyl acetate 174.82
    acetic acid 648.88
    dichloromethane 1237.26
    cyclohexanone 333.82
    propylene glycol 75.03
    isopropyl acetate 155.72
    DMAc 557.69
    2-ethoxyethanol 308.65
    isopentanol 112.78
    n-heptane 10.85
    ethyl formate 180.9
    1,2-dichloroethane 894.11
    n-hexanol 88.25
    2-methoxyethanol 556.53
    isobutyl acetate 97.83
    tetrachloromethane 68.69
    n-pentyl acetate 74.89
    transcutol 1248.77
    n-heptanol 33.81
    ethylbenzene 68.55
    MIBK 109.17
    2-propoxyethanol 218.77
    tert-butanol 221.32
    MTBE 191.1
    2-butoxyethanol 101.85
    propionic acid 226.18
    o-xylene 80.92
    formic acid 284.24
    diethyl ether 280.19
    m-xylene 70.02
    p-xylene 85.21
    chlorobenzene 262.71
    dimethyl carbonate 157.4
    n-octane 4.6
    formamide 536.89
    cyclopentanone 353.31
    2-pentanone 180.44
    anisole 205.91
    cyclopentyl methyl ether 172.02
    gamma-butyrolactone 500.72
    1-methoxy-2-propanol 249.84
    pyridine 506.73
    3-pentanone 181.67
    furfural 530.35
    n-dodecane 5.18
    diethylene glycol 270.41
    diisopropyl ether 51.89
    tert-amyl alcohol 152.46
    acetylacetone 357.58
    n-hexadecane 6.02
    acetophenone 181.31
    methyl propionate 255.59
    isopentyl acetate 160.04
    trichloroethylene 1349.97
    n-nonanol 37.54
    cyclohexanol 127.91
    benzyl alcohol 146.73
    2-ethylhexanol 61.59
    isooctanol 30.12
    dipropyl ether 90.61
    1,2-dichlorobenzene 234.36
    ethyl lactate 86.15
    propylene carbonate 241.91
    n-methylformamide 293.44
    2-pentanol 65.63
    n-pentane 12.64
    1-propoxy-2-propanol 130.67
    1-methoxy-2-propyl acetate 192.57
    2-(2-methoxypropoxy) propanol 186.24
    mesitylene 47.55
    ε-caprolactone 286.51
    p-cymene 44.19
    epichlorohydrin 694.64
    1,1,1-trichloroethane 422.97
    2-aminoethanol 157.07
    morpholine-4-carbaldehyde 510.71
    sulfolane 628.88
    2,2,4-trimethylpentane 10.3
    2-methyltetrahydrofuran 274.95
    n-hexyl acetate 115.34
    isooctane 6.99
    2-(2-butoxyethoxy)ethanol 224.12
    sec-butyl acetate 110.45
    tert-butyl acetate 174.17
    decalin 21.39
    glycerin 170.74
    diglyme 523.36
    acrylic acid 248.52
    isopropyl myristate 53.5
    n-butyric acid 265.98
    acetyl acetate 330.91
    di(2-ethylhexyl) phthalate 59.85
    ethyl propionate 176.0
    nitromethane 1190.1
    1,2-diethoxyethane 307.18
    benzonitrile 188.31
    trioctyl phosphate 36.32
    1-bromopropane 276.86
    gamma-valerolactone 474.14
    n-decanol 29.63
    triethyl phosphate 89.77
    4-methyl-2-pentanol 46.92
    propionitrile 237.06
    vinylene carbonate 262.38
    1,1,2-trichlorotrifluoroethane 495.21
    DMS 202.08
    cumene 45.89
    2-octanol 23.61
    2-hexanone 136.74
    octyl acetate 62.3
    limonene 63.8
    1,2-dimethoxyethane 543.77
    ethyl orthosilicate 80.48
    tributyl phosphate 64.38
    diacetone alcohol 179.03
    N,N-dimethylaniline 117.47
    acrylonitrile 371.64
    aniline 184.57
    1,3-propanediol 211.48
    bromobenzene 295.31
    dibromomethane 675.28
    1,1,2,2-tetrachloroethane 974.64
    2-methyl-cyclohexyl acetate 111.3
    tetrabutyl urea 83.91
    diisobutyl methanol 43.71
    2-phenylethanol 117.05
    styrene 111.71
    dioctyl adipate 102.67
    dimethyl sulfate 266.26
    ethyl butyrate 152.87
    methyl lactate 129.62
    butyl lactate 67.65
    diethyl carbonate 138.59
    propanediol butyl ether 100.54
    triethyl orthoformate 109.88
    p-tert-butyltoluene 41.33
    methyl 4-tert-butylbenzoate 122.28
    morpholine 621.7
    tert-butylamine 121.98
    n-dodecanol 25.08
    dimethoxymethane 379.77
    ethylene carbonate 221.26
    cyrene 150.11
    2-ethoxyethyl acetate 161.42
    2-ethylhexyl acetate 129.56
    1,2,4-trichlorobenzene 273.11
    4-methylpyridine 306.51
    dibutyl ether 88.08
    2,6-dimethyl-4-heptanol 43.71
    DEF 294.96
    dimethyl isosorbide 286.23
    tetrachloroethylene 563.2
    eugenol 133.19
    triacetin 173.53
    span 80 117.1
    1,4-butanediol 77.17
    1,1-dichloroethane 484.82
    2-methyl-1-pentanol 95.51
    methyl formate 244.26
    2-methyl-1-butanol 93.41
    n-decane 7.34
    butyronitrile 182.86
    3,7-dimethyl-1-octanol 51.01
    1-chlorooctane 35.49
    1-chlorotetradecane 17.34
    n-nonane 6.55
    undecane 5.94
    tert-butylcyclohexane 15.72
    cyclooctane 10.9
    cyclopentanol 107.95
    tetrahydropyran 373.16
    tert-amyl methyl ether 136.64
    2,5,8-trioxanonane 395.64
    1-hexene 58.52
    2-isopropoxyethanol 172.23
    2,2,2-trifluoroethanol 192.96
    methyl butyrate 222.96

    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