1-Methoxyethyl benzoate

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  • Identifiers

    CAS number
    51835-44-0

    Molecular formula
    C10H12O3

    SMILES
    CC(OC)OC(=O)C1=CC=CC=C1

  • Odor profile

    Floral 73.36%
    Green 70.69%
    Fruity 54.38%
    Herbal 48.53%
    Balsamic 48.26%
    Sweet 42.99%
    Fresh 37.09%
    Spicy 32.63%
    Jasmin 31.82%
    Leafy 31.78%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.71 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point est.
    99.71 ˚C

  • Synonyms

    • 1-Methoxyethyl benzoate
    • 51835-44-0
    • 1-Methoxyethanol benzoate
    • 1-Methoxyethyl benzoate #
    • Ethanol, 1-methoxy-, benzoate
    • SCHEMBL4418738
    • XNFOBPBXXUROKA-UHFFFAOYSA-N
    • DB-312232

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 382.11
    methanol 467.11
    isopropanol 306.32
    water 1.36
    ethyl acetate 232.51
    n-propanol 278.3
    acetone 251.42
    n-butanol 250.67
    acetonitrile 307.54
    DMF 654.84
    toluene 173.72
    isobutanol 219.47
    1,4-dioxane 642.67
    methyl acetate 267.85
    THF 388.8
    2-butanone 228.38
    n-pentanol 187.76
    sec-butanol 299.22
    n-hexane 12.13
    ethylene glycol 108.31
    NMP 323.89
    cyclohexane 35.47
    DMSO 455.73
    n-butyl acetate 143.52
    n-octanol 86.32
    chloroform 1123.65
    n-propyl acetate 136.35
    acetic acid 381.6
    dichloromethane 899.14
    cyclohexanone 304.25
    propylene glycol 141.75
    isopropyl acetate 112.18
    DMAc 596.4
    2-ethoxyethanol 301.25
    isopentanol 214.09
    n-heptane 7.86
    ethyl formate 188.72
    1,2-dichloroethane 491.05
    n-hexanol 152.22
    2-methoxyethanol 494.48
    isobutyl acetate 88.31
    tetrachloromethane 75.34
    n-pentyl acetate 78.33
    transcutol 544.64
    n-heptanol 76.69
    ethylbenzene 110.25
    MIBK 104.78
    2-propoxyethanol 230.82
    tert-butanol 439.34
    MTBE 215.83
    2-butoxyethanol 137.72
    propionic acid 236.17
    o-xylene 119.36
    formic acid 159.78
    diethyl ether 192.03
    m-xylene 99.89
    p-xylene 147.96
    chlorobenzene 226.06
    dimethyl carbonate 110.73
    n-octane 5.67
    formamide 258.2
    cyclopentanone 287.82
    2-pentanone 154.62
    anisole 236.49
    cyclopentyl methyl ether 160.76
    gamma-butyrolactone 358.64
    1-methoxy-2-propanol 294.9
    pyridine 513.11
    3-pentanone 129.62
    furfural 405.89
    n-dodecane 8.16
    diethylene glycol 230.74
    diisopropyl ether 42.21
    tert-amyl alcohol 328.82
    acetylacetone 197.37
    n-hexadecane 9.19
    acetophenone 197.57
    methyl propionate 185.28
    isopentyl acetate 124.32
    trichloroethylene 957.76
    n-nonanol 75.1
    cyclohexanol 242.19
    benzyl alcohol 206.11
    2-ethylhexanol 92.88
    isooctanol 64.45
    dipropyl ether 67.1
    1,2-dichlorobenzene 202.63
    ethyl lactate 94.36
    propylene carbonate 222.65
    n-methylformamide 267.88
    2-pentanol 159.07
    n-pentane 10.34
    1-propoxy-2-propanol 144.81
    1-methoxy-2-propyl acetate 131.89
    2-(2-methoxypropoxy) propanol 159.6
    mesitylene 59.06
    ε-caprolactone 267.6
    p-cymene 49.7
    epichlorohydrin 478.76
    1,1,1-trichloroethane 371.91
    2-aminoethanol 199.45
    morpholine-4-carbaldehyde 403.23
    sulfolane 369.91
    2,2,4-trimethylpentane 12.75
    2-methyltetrahydrofuran 279.05
    n-hexyl acetate 126.57
    isooctane 7.63
    2-(2-butoxyethoxy)ethanol 201.27
    sec-butyl acetate 97.57
    tert-butyl acetate 129.81
    decalin 23.87
    glycerin 199.86
    diglyme 369.89
    acrylic acid 232.25
    isopropyl myristate 55.33
    n-butyric acid 275.55
    acetyl acetate 168.12
    di(2-ethylhexyl) phthalate 65.74
    ethyl propionate 130.15
    nitromethane 470.1
    1,2-diethoxyethane 150.1
    benzonitrile 226.62
    trioctyl phosphate 44.43
    1-bromopropane 230.31
    gamma-valerolactone 377.87
    n-decanol 57.79
    triethyl phosphate 70.88
    4-methyl-2-pentanol 85.31
    propionitrile 250.22
    vinylene carbonate 257.13
    1,1,2-trichlorotrifluoroethane 392.52
    DMS 130.34
    cumene 67.63
    2-octanol 54.77
    2-hexanone 134.95
    octyl acetate 72.51
    limonene 68.47
    1,2-dimethoxyethane 440.24
    ethyl orthosilicate 66.64
    tributyl phosphate 55.9
    diacetone alcohol 185.74
    N,N-dimethylaniline 148.11
    acrylonitrile 336.63
    aniline 244.43
    1,3-propanediol 274.58
    bromobenzene 242.16
    dibromomethane 565.29
    1,1,2,2-tetrachloroethane 787.27
    2-methyl-cyclohexyl acetate 99.51
    tetrabutyl urea 75.98
    diisobutyl methanol 53.94
    2-phenylethanol 151.5
    styrene 158.07
    dioctyl adipate 87.16
    dimethyl sulfate 172.89
    ethyl butyrate 111.33
    methyl lactate 125.89
    butyl lactate 81.14
    diethyl carbonate 99.31
    propanediol butyl ether 136.93
    triethyl orthoformate 84.09
    p-tert-butyltoluene 48.12
    methyl 4-tert-butylbenzoate 133.96
    morpholine 654.22
    tert-butylamine 238.77
    n-dodecanol 46.46
    dimethoxymethane 272.51
    ethylene carbonate 201.08
    cyrene 157.45
    2-ethoxyethyl acetate 116.6
    2-ethylhexyl acetate 98.28
    1,2,4-trichlorobenzene 256.86
    4-methylpyridine 422.27
    dibutyl ether 80.09
    2,6-dimethyl-4-heptanol 53.94
    DEF 251.41
    dimethyl isosorbide 206.46
    tetrachloroethylene 457.08
    eugenol 155.47
    triacetin 132.44
    span 80 125.63
    1,4-butanediol 116.04
    1,1-dichloroethane 460.49
    2-methyl-1-pentanol 169.7
    methyl formate 210.51
    2-methyl-1-butanol 213.18
    n-decane 11.46
    butyronitrile 239.07
    3,7-dimethyl-1-octanol 83.13
    1-chlorooctane 55.05
    1-chlorotetradecane 25.39
    n-nonane 10.12
    undecane 9.37
    tert-butylcyclohexane 20.17
    cyclooctane 8.46
    cyclopentanol 199.89
    tetrahydropyran 395.81
    tert-amyl methyl ether 154.11
    2,5,8-trioxanonane 276.41
    1-hexene 72.74
    2-isopropoxyethanol 189.92
    2,2,2-trifluoroethanol 137.65
    methyl butyrate 185.31

    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