2-Acetoxypropionic Acid

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  • Identifiers

    CAS number
    535-17-1

    Molecular formula
    C5H8O4

    SMILES
    CC(C(=O)O)OC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 64.34%
    Sour 52.75%
    Buttery 43.72%
    Caramellic 43.7%
    Cheesy 40.25%
    Creamy 37.44%
    Milky 35.87%
    Dairy 35.56%
    Sharp 31.55%
    Odorless 28.47%

     

    Flavor
    Fruity 41.99%
    Sour 40.71%
    Odorless 38.08%
    Buttery 38.02%
    Creamy 36.36%
    Sharp 34.69%
    Acidic 32.45%
    Butter 32.15%
    Cheese 28.16%
    Pungent 26.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    6.7 (neutral)

    Molecular weight
    132.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    216°C

    Flash point

    • 94.65 ˚C est.

  • Synonyms

    • 2-Acetoxypropanoic acid
    • 535-17-1
    • (+/-)-2-Acetoxypropionic acid
    • 2-Acetoxypropionic acid
    • Acetolactate
    • O-Acetyllactic acid
    • 2-acetyloxypropanoic acid
    • alpha-Acetoxypropionic acid
    • alpha-acetolactate
    • 2-AcetoxypropionicAcid
    • 3853-80-3
    • Lactic acid, acetate
    • Propanoic acid, 2-(acetyloxy)-
    • 2-(acetyloxy)propanoic acid
    • .alpha.-Acetoxypropionic acid
    • AI3-03136
    • 9QA2F3GU47
    • DTXSID701313512
    • NSC-402126
    • MFCD00674491
    • NSC 402126
    • 2-Acetoxypropanoicacid
    • DL-O-Acetyllactic acid
    • 2-acetoxy propionic acid
    • 2-acetoxy-propionic acid
    • UNII-9QA2F3GU47
    • SCHEMBL140867
    • ( inverted exclamation markA)-2-Acetoxypropionic acid
    • Propanoic acid, 2-(acetyloxy)
    • (+/-)-a-Acetoxypropionic acid
    • DTXCID401460182
    • (S)-(-)-2-acetoxypropanoic acid
    • (+/-)-alpha-Acetoxypropionic acid
    • 2-Acetoxypropanoic acid, (+/-)-
    • NSC402126
    • AKOS006222560
    • PROPANOIC ACID,2-(ACETYLOXY)-
    • SB44729
    • BS-32529
    • Propanoic acid, 2-(acetyloxy)-, (R)-
    • SY050740
    • DB-016203
    • A2931
    • CS-0204661
    • D88540
    • (+/-)-2-Acetoxypropionic acid, >=97.0% (GC)
    • 609-562-7
    • 663-442-9

  • Applications

    2-Acetoxypropionic Acid (CAS 535-17-1) is primarily used as an intermediate and building block in organic synthesis related to lactic acid, including the production of lactic esters and lactic acid derivatives. In cosmetics and personal care, it is viewed as a precursor for preparing stable, mildly fragrant lactic esters suitable for skin-care formulations and perfumery. In the polymers/plastics sector, lactic acid esters can serve as plasticizers or feedstock for the synthesis of biodegradable polymers such as polylactic acid (PLA) or related polyesters. In coatings, inks and adhesives, it may function as an ester intermediate or a formulation component that adjusts adhesion and film properties. In pharmaceuticals, it can be considered a potential intermediate for the synthesis of pharmaceutical intermediates or related compounds, subject to formulation and regulatory constraints. These applications depend on local regulations and the specific formulation conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 228.06
    methanol 380.93
    isopropanol 168.79
    water 211.02
    ethyl acetate 35.6
    n-propanol 146.95
    acetone 136.47
    n-butanol 116.93
    acetonitrile 97.18
    DMF 638.33
    toluene 15.92
    isobutanol 104.89
    1,4-dioxane 148.04
    methyl acetate 64.94
    THF 161.77
    2-butanone 79.49
    n-pentanol 79.56
    sec-butanol 127.19
    n-hexane 10.44
    ethylene glycol 196.96
    NMP 352.84
    cyclohexane 4.25
    DMSO 785.31
    n-butyl acetate 22.69
    n-octanol 32.75
    chloroform 40.91
    n-propyl acetate 25.01
    acetic acid 115.07
    dichloromethane 96.86
    cyclohexanone 74.14
    propylene glycol 134.74
    isopropyl acetate 22.45
    DMAc 464.76
    2-ethoxyethanol 231.89
    isopentanol 95.01
    n-heptane 4.06
    ethyl formate 120.33
    1,2-dichloroethane 85.81
    n-hexanol 41.12
    2-methoxyethanol 407.5
    isobutyl acetate 12.94
    tetrachloromethane 10.17
    n-pentyl acetate 18.83
    transcutol 157.29
    n-heptanol 24.26
    ethylbenzene 16.69
    MIBK 37.43
    2-propoxyethanol 113.12
    tert-butanol 212.78
    MTBE 94.62
    2-butoxyethanol 59.09
    propionic acid 73.31
    o-xylene 23.47
    formic acid 272.09
    diethyl ether 58.29
    m-xylene 16.37
    p-xylene 20.76
    chlorobenzene 19.56
    dimethyl carbonate 37.78
    n-octane 2.88
    formamide 308.97
    cyclopentanone 107.58
    2-pentanone 55.3
    anisole 51.59
    cyclopentyl methyl ether 51.49
    gamma-butyrolactone 142.28
    1-methoxy-2-propanol 203.41
    pyridine 62.64
    3-pentanone 40.65
    furfural 204.47
    n-dodecane 3.01
    diethylene glycol 163.13
    diisopropyl ether 14.87
    tert-amyl alcohol 172.54
    acetylacetone 63.26
    n-hexadecane 3.12
    acetophenone 46.52
    methyl propionate 48.35
    isopentyl acetate 23.12
    trichloroethylene 71.47
    n-nonanol 28.83
    cyclohexanol 62.14
    benzyl alcohol 59.27
    2-ethylhexanol 21.85
    isooctanol 20.08
    dipropyl ether 21.6
    1,2-dichlorobenzene 25.54
    ethyl lactate 32.26
    propylene carbonate 63.46
    n-methylformamide 300.16
    2-pentanol 61.51
    n-pentane 8.99
    1-propoxy-2-propanol 59.08
    1-methoxy-2-propyl acetate 32.02
    2-(2-methoxypropoxy) propanol 74.13
    mesitylene 12.34
    ε-caprolactone 70.85
    p-cymene 10.9
    epichlorohydrin 168.49
    1,1,1-trichloroethane 26.87
    2-aminoethanol 231.94
    morpholine-4-carbaldehyde 327.52
    sulfolane 250.29
    2,2,4-trimethylpentane 6.3
    2-methyltetrahydrofuran 94.55
    n-hexyl acetate 29.61
    isooctane 3.27
    2-(2-butoxyethoxy)ethanol 81.73
    sec-butyl acetate 15.82
    tert-butyl acetate 34.3
    decalin 5.36
    glycerin 225.06
    diglyme 146.23
    acrylic acid 71.63
    isopropyl myristate 14.67
    n-butyric acid 68.12
    acetyl acetate 21.28
    di(2-ethylhexyl) phthalate 22.69
    ethyl propionate 27.53
    nitromethane 220.62
    1,2-diethoxyethane 42.25
    benzonitrile 43.52
    trioctyl phosphate 16.59
    1-bromopropane 42.29
    gamma-valerolactone 204.21
    n-decanol 22.52
    triethyl phosphate 20.69
    4-methyl-2-pentanol 35.21
    propionitrile 63.96
    vinylene carbonate 68.39
    1,1,2-trichlorotrifluoroethane 131.66
    DMS 27.2
    cumene 15.31
    2-octanol 20.09
    2-hexanone 37.48
    octyl acetate 19.33
    limonene 14.23
    1,2-dimethoxyethane 322.71
    ethyl orthosilicate 20.15
    tributyl phosphate 18.44
    diacetone alcohol 79.58
    N,N-dimethylaniline 57.14
    acrylonitrile 93.0
    aniline 41.44
    1,3-propanediol 226.51
    bromobenzene 15.57
    dibromomethane 52.31
    1,1,2,2-tetrachloroethane 68.64
    2-methyl-cyclohexyl acetate 21.25
    tetrabutyl urea 32.93
    diisobutyl methanol 17.34
    2-phenylethanol 34.49
    styrene 17.28
    dioctyl adipate 23.32
    dimethyl sulfate 108.48
    ethyl butyrate 21.28
    methyl lactate 62.51
    butyl lactate 25.18
    diethyl carbonate 17.22
    propanediol butyl ether 69.16
    triethyl orthoformate 19.92
    p-tert-butyltoluene 11.33
    methyl 4-tert-butylbenzoate 47.81
    morpholine 173.2
    tert-butylamine 108.35
    n-dodecanol 17.67
    dimethoxymethane 214.25
    ethylene carbonate 53.8
    cyrene 76.2
    2-ethoxyethyl acetate 27.54
    2-ethylhexyl acetate 16.77
    1,2,4-trichlorobenzene 27.0
    4-methylpyridine 82.14
    dibutyl ether 22.03
    2,6-dimethyl-4-heptanol 17.34
    DEF 119.78
    dimethyl isosorbide 91.45
    tetrachloroethylene 44.52
    eugenol 52.05
    triacetin 30.64
    span 80 43.42
    1,4-butanediol 119.95
    1,1-dichloroethane 42.74
    2-methyl-1-pentanol 70.47
    methyl formate 231.7
    2-methyl-1-butanol 96.38
    n-decane 4.5
    butyronitrile 68.75
    3,7-dimethyl-1-octanol 29.52
    1-chlorooctane 13.26
    1-chlorotetradecane 6.55
    n-nonane 4.4
    undecane 3.57
    tert-butylcyclohexane 5.78
    cyclooctane 2.5
    cyclopentanol 79.33
    tetrahydropyran 64.0
    tert-amyl methyl ether 78.17
    2,5,8-trioxanonane 119.5
    1-hexene 24.39
    2-isopropoxyethanol 106.25
    2,2,2-trifluoroethanol 75.33
    methyl butyrate 46.17

    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
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.39%