Methyl phthalyl ethyl glycolate

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  • Identifiers

    CAS number
    85-71-2

    Molecular formula
    C13H14O6

    SMILES
    CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.96%
    Winey 39.64%
    Fruity 34.49%
    Caramellic 32.23%
    Burnt 28.84%
    Sour 26.03%
    Herbal 25.3%
    Grape 25.16%
    Floral 24.81%
    Ethereal 24.64%

     

    Flavor
    Bitter 53.68%
    Fruity 38.57%
    Odorless 31.76%
    Mild 29.51%
    Grape 27.29%
    Strawberry 23.45%
    Wine 23.0%
    Aniseed 22.93%
    Wintergreen 22.75%
    Very mild 22.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    4.3 (weak acid)

    Molecular weight
    266.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    343°C

    Flash point

    • 164.65 ˚C est.

  • Synonyms

    • Santicizer M-17
    • Ethoxycarbonylmethyl methyl phthalate
    • METHYL PHTHALYL ETHYL GLYCOLATE
    • 85-71-2
    • 1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl methyl ester
    • Glycolic acid, ethyl ester, methyl phthalate
    • Phthalic acid, methyl ester, ester with ethyl glycolate
    • 01HT00FI3B
    • Ethyl O-(o-(methoxycarbonyl)benzoyl)glycolate
    • NSC-4836
    • Phthalic acid, monomethyl ester, ester with ethyl glycolate
    • Ethyl o-[o-(methoxycarbonyl)benzoyl]glycolate
    • RefChem:1089629
    • 201-625-3
    • Methyl carbethoxymethyl phthalate
    • (Ethoxycarbonyl)methyl phthalate
    • Ethyl o-(methoxycarbonyl)benzoyloxyacetate
    • NSC 4836
    • Ethoxykarbonylmethyl-methylester kyseliny ftalove
    • phthalic acid ethoxycarbonylmethyl ester methyl ester
    • UNII-01HT00FI3B
    • methylphthalyl ethyl glycolate
    • EINECS 201-625-3
    • BRN 1995396
    • AI3-01792
    • WLN: 2OV1OVR BVO1
    • Methyl phthalyl ether glycolate
    • Glycolic acid, methyl phthalate
    • Ethoxykarbonylmethyl-methylester kyseliny ftalove [Czech]
    • OYMDOVKIWFMTAW-UHFFFAOYSA-
    • DTXSID30861661
    • NSC4836
    • 1, 2-ethoxy-2-oxoethyl methyl ester
    • Phthalic acid, ester with ethyl glycolate
    • NS00041146
    • 1-(2-Ethoxy-2-oxoethyl) 2-methyl phthalate #
    • 3,4-dihydroxybutyl methyl benzene-1,2-dicarboxylate
    • 2-Ethoxy-2-oxoethyl methyl benzene-1,2-dicarboxylate
    • Q27231429
    • 1-O-(3,4-Dihydroxybutyl)2-O-methyl benzene-1,2-dicarboxylate
    • InChI=1/C13H14O6/c1-3-18-11(14)8-19-13(16)10-7-5-4-6-9(10)12(15)17-2/h4-7H,3,8H2,1-2H3
    • 85-71-2

  • Applications

    Methyl phthalyl ethyl glycolate (CAS 85-71-2) is primarily used as a fragrance ingredient, functioning as a solvent and fixative to stabilize and extend aroma in perfumery. It may also serve as a plasticizer or intermediate in the synthesis of phthalate-based polymers and as a processing aid in coatings and inks. In cosmetics and personal care, it may be evaluated as a solubilizer or fragrance carrier; in broader industrial applications, it can appear as an intermediate in chemical synthesis and as a formulation aid in household products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.13
    methanol 81.92
    isopropanol 29.36
    water 0.61
    ethyl acetate 159.88
    n-propanol 31.08
    acetone 271.42
    n-butanol 27.12
    acetonitrile 187.55
    DMF 432.06
    toluene 77.72
    isobutanol 22.15
    1,4-dioxane 193.62
    methyl acetate 208.21
    THF 241.37
    2-butanone 155.93
    n-pentanol 29.76
    sec-butanol 33.44
    n-hexane 2.5
    ethylene glycol 18.42
    NMP 454.6
    cyclohexane 4.09
    DMSO 568.55
    n-butyl acetate 58.27
    n-octanol 10.63
    chloroform 220.92
    n-propyl acetate 73.61
    acetic acid 126.61
    dichloromethane 414.02
    cyclohexanone 158.05
    propylene glycol 8.88
    isopropyl acetate 71.01
    DMAc 564.95
    2-ethoxyethanol 126.61
    isopentanol 29.92
    n-heptane 2.03
    ethyl formate 66.97
    1,2-dichloroethane 302.95
    n-hexanol 18.87
    2-methoxyethanol 170.1
    isobutyl acetate 31.34
    tetrachloromethane 18.63
    n-pentyl acetate 30.73
    transcutol 174.42
    n-heptanol 12.27
    ethylbenzene 42.36
    MIBK 49.53
    2-propoxyethanol 75.62
    tert-butanol 65.18
    MTBE 65.41
    2-butoxyethanol 40.55
    propionic acid 56.05
    o-xylene 57.73
    formic acid 91.04
    diethyl ether 79.37
    m-xylene 40.11
    p-xylene 53.41
    chlorobenzene 85.87
    dimethyl carbonate 113.4
    n-octane 1.42
    formamide 287.37
    cyclopentanone 243.29
    2-pentanone 101.54
    anisole 110.1
    cyclopentyl methyl ether 94.77
    gamma-butyrolactone 350.58
    1-methoxy-2-propanol 89.53
    pyridine 244.83
    3-pentanone 105.15
    furfural 279.68
    n-dodecane 1.36
    diethylene glycol 81.78
    diisopropyl ether 17.49
    tert-amyl alcohol 58.97
    acetylacetone 182.93
    n-hexadecane 1.58
    acetophenone 120.89
    methyl propionate 157.85
    isopentyl acetate 51.18
    trichloroethylene 514.68
    n-nonanol 11.53
    cyclohexanol 37.1
    benzyl alcohol 85.65
    2-ethylhexanol 15.46
    isooctanol 11.44
    dipropyl ether 27.39
    1,2-dichlorobenzene 89.1
    ethyl lactate 33.71
    propylene carbonate 114.51
    n-methylformamide 173.24
    2-pentanol 21.71
    n-pentane 1.99
    1-propoxy-2-propanol 42.79
    1-methoxy-2-propyl acetate 70.19
    2-(2-methoxypropoxy) propanol 59.91
    mesitylene 21.16
    ε-caprolactone 143.14
    p-cymene 17.06
    epichlorohydrin 411.17
    1,1,1-trichloroethane 142.4
    2-aminoethanol 27.46
    morpholine-4-carbaldehyde 322.54
    sulfolane 402.0
    2,2,4-trimethylpentane 2.03
    2-methyltetrahydrofuran 159.88
    n-hexyl acetate 37.61
    isooctane 0.94
    2-(2-butoxyethoxy)ethanol 63.35
    sec-butyl acetate 47.87
    tert-butyl acetate 76.35
    decalin 4.55
    glycerin 28.51
    diglyme 165.77
    acrylic acid 74.95
    isopropyl myristate 18.15
    n-butyric acid 58.1
    acetyl acetate 100.62
    di(2-ethylhexyl) phthalate 22.18
    ethyl propionate 77.94
    nitromethane 489.98
    1,2-diethoxyethane 71.02
    benzonitrile 86.26
    trioctyl phosphate 13.12
    1-bromopropane 71.4
    gamma-valerolactone 314.83
    n-decanol 9.51
    triethyl phosphate 37.05
    4-methyl-2-pentanol 14.16
    propionitrile 85.43
    vinylene carbonate 113.34
    1,1,2-trichlorotrifluoroethane 190.28
    DMS 83.08
    cumene 23.5
    2-octanol 9.35
    2-hexanone 65.93
    octyl acetate 22.95
    limonene 20.75
    1,2-dimethoxyethane 226.39
    ethyl orthosilicate 33.3
    tributyl phosphate 19.11
    diacetone alcohol 84.69
    N,N-dimethylaniline 70.98
    acrylonitrile 147.61
    aniline 92.5
    1,3-propanediol 43.62
    bromobenzene 92.76
    dibromomethane 193.82
    1,1,2,2-tetrachloroethane 305.8
    2-methyl-cyclohexyl acetate 44.64
    tetrabutyl urea 30.87
    diisobutyl methanol 12.28
    2-phenylethanol 52.76
    styrene 58.14
    dioctyl adipate 32.48
    dimethyl sulfate 220.17
    ethyl butyrate 49.36
    methyl lactate 56.99
    butyl lactate 22.29
    diethyl carbonate 44.65
    propanediol butyl ether 24.52
    triethyl orthoformate 37.56
    p-tert-butyltoluene 15.47
    methyl 4-tert-butylbenzoate 64.5
    morpholine 196.48
    tert-butylamine 29.65
    n-dodecanol 7.94
    dimethoxymethane 239.68
    ethylene carbonate 90.32
    cyrene 83.81
    2-ethoxyethyl acetate 62.94
    2-ethylhexyl acetate 40.35
    1,2,4-trichlorobenzene 118.12
    4-methylpyridine 197.42
    dibutyl ether 22.33
    2,6-dimethyl-4-heptanol 12.28
    DEF 166.56
    dimethyl isosorbide 132.14
    tetrachloroethylene 191.28
    eugenol 59.62
    triacetin 66.48
    span 80 31.58
    1,4-butanediol 21.06
    1,1-dichloroethane 152.8
    2-methyl-1-pentanol 33.43
    methyl formate 159.55
    2-methyl-1-butanol 28.2
    n-decane 1.96
    butyronitrile 53.94
    3,7-dimethyl-1-octanol 13.65
    1-chlorooctane 9.95
    1-chlorotetradecane 5.34
    n-nonane 1.69
    undecane 1.61
    tert-butylcyclohexane 3.19
    cyclooctane 1.7
    cyclopentanol 44.99
    tetrahydropyran 107.44
    tert-amyl methyl ether 64.72
    2,5,8-trioxanonane 125.36
    1-hexene 14.24
    2-isopropoxyethanol 73.34
    2,2,2-trifluoroethanol 80.6
    methyl butyrate 89.31

    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