Benzaldehyde, 2-ethoxy-

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  • Identifiers

    CAS number
    613-69-4

    Molecular formula
    C9H10O2

    SMILES
    CCOC1=CC=CC=C1C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 89.78%
    Spicy 70.54%
    Vanilla 62.18%
    Anisic 60.86%
    Almond 48.85%
    Cinnamon 46.84%
    Herbal 46.15%
    Cherry 46.05%
    Phenolic 44.11%
    Aromatic 43.51%

     

    Flavor
    Sweet 81.64%
    Vanilla 61.68%
    Floral 60.64%
    Bitter 55.09%
    Spicy 51.38%
    Balsam 50.57%
    Almond 48.77%
    Powdery 46.36%
    Cherry 45.04%
    Cinnamon 44.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.03 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 96.42 ˚C est.

  • Synonyms

    • 2-ETHOXYBENZALDEHYDE
    • 613-69-4
    • Benzaldehyde, 2-ethoxy-
    • o-Ethoxybenzaldehyde
    • Benzaldehyde, ethoxy-
    • Benzaldehyde, o-ethoxy-
    • 2-ethoxy-benzaldehyde
    • NSC 1783
    • EINECS 210-349-2
    • MFCD00003316
    • AI3-01358
    • 7LT24CX9U3
    • DTXSID2060624
    • NSC-1783
    • ethoxy benzaldehyde
    • ortho-Ethoxybenzaldehyde
    • Ethoxybenzaldehyde, 2-
    • Salicylaldehyde Ethyl Ether
    • UNII-7LT24CX9U3
    • Integrase inhibitor, R2{2}
    • SCHEMBL535646
    • 2-Ethoxybenzaldehyde, >=97%
    • Benzaldehyde, o-ethoxy-(8CI)
    • DTXCID5043005
    • BDBM93342
    • NSC1783
    • STK397319
    • AKOS000119720
    • CS-W018149
    • DS-3185
    • FE35040
    • DB-053856
    • E0058
    • NS00034661
    • EN300-16100
    • L10017
    • Z53833343
    • F2190-0617
    • 210-349-2

  • Applications

    Benzaldehyde, 2-ethoxy- (CAS 613-69-4) is primarily used as an intermediate in fragrance and flavor chemistry, enabling the synthesis of substituted aroma compounds for perfumes and flavor formulations. It also serves as a building block in pharmaceutical intermediate synthesis and other specialty chemicals. In cosmetics and personal care, as well as in household products, it may function as a fragrance intermediate. In industrial manufacturing, including polymers/plastics and coatings/inks, it can be used as a precursor to aroma-related monomers or functional additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 391.42
    methanol 450.5
    isopropanol 218.77
    water 1.2
    ethyl acetate 599.38
    n-propanol 252.5
    acetone 1040.8
    n-butanol 208.46
    acetonitrile 1015.07
    DMF 1199.78
    toluene 285.17
    isobutanol 171.2
    1,4-dioxane 890.47
    methyl acetate 808.23
    THF 957.8
    2-butanone 673.86
    n-pentanol 151.08
    sec-butanol 177.45
    n-hexane 45.59
    ethylene glycol 161.62
    NMP 1032.61
    cyclohexane 133.44
    DMSO 1676.71
    n-butyl acetate 460.21
    n-octanol 148.47
    chloroform 2334.32
    n-propyl acetate 411.9
    acetic acid 525.13
    dichloromethane 3890.79
    cyclohexanone 1011.97
    propylene glycol 113.1
    isopropyl acetate 243.57
    DMAc 788.19
    2-ethoxyethanol 298.79
    isopentanol 155.45
    n-heptane 74.6
    ethyl formate 656.39
    1,2-dichloroethane 2116.13
    n-hexanol 222.67
    2-methoxyethanol 518.23
    isobutyl acetate 204.74
    tetrachloromethane 341.67
    n-pentyl acetate 211.03
    transcutol 745.01
    n-heptanol 104.85
    ethylbenzene 186.74
    MIBK 224.5
    2-propoxyethanol 357.18
    tert-butanol 251.6
    MTBE 220.82
    2-butoxyethanol 189.76
    propionic acid 391.98
    o-xylene 208.96
    formic acid 140.14
    diethyl ether 353.65
    m-xylene 201.91
    p-xylene 247.88
    chlorobenzene 636.73
    dimethyl carbonate 337.85
    n-octane 33.07
    formamide 354.88
    cyclopentanone 1238.26
    2-pentanone 455.43
    anisole 402.9
    cyclopentyl methyl ether 388.67
    gamma-butyrolactone 1477.61
    1-methoxy-2-propanol 304.89
    pyridine 935.95
    3-pentanone 418.49
    furfural 1192.89
    n-dodecane 32.33
    diethylene glycol 333.04
    diisopropyl ether 89.6
    tert-amyl alcohol 186.06
    acetylacetone 631.43
    n-hexadecane 36.38
    acetophenone 422.69
    methyl propionate 538.2
    isopentyl acetate 305.65
    trichloroethylene 3144.14
    n-nonanol 124.77
    cyclohexanol 251.68
    benzyl alcohol 274.07
    2-ethylhexanol 158.45
    isooctanol 88.14
    dipropyl ether 272.15
    1,2-dichlorobenzene 627.3
    ethyl lactate 198.23
    propylene carbonate 821.26
    n-methylformamide 691.16
    2-pentanol 118.6
    n-pentane 47.65
    1-propoxy-2-propanol 251.27
    1-methoxy-2-propyl acetate 344.39
    2-(2-methoxypropoxy) propanol 241.33
    mesitylene 145.02
    ε-caprolactone 749.35
    p-cymene 143.42
    epichlorohydrin 1597.3
    1,1,1-trichloroethane 1288.29
    2-aminoethanol 187.43
    morpholine-4-carbaldehyde 873.57
    sulfolane 1616.91
    2,2,4-trimethylpentane 25.54
    2-methyltetrahydrofuran 612.7
    n-hexyl acetate 337.01
    isooctane 22.39
    2-(2-butoxyethoxy)ethanol 280.31
    sec-butyl acetate 187.63
    tert-butyl acetate 238.45
    decalin 63.37
    glycerin 173.97
    diglyme 660.05
    acrylic acid 413.9
    isopropyl myristate 150.35
    n-butyric acid 405.66
    acetyl acetate 409.42
    di(2-ethylhexyl) phthalate 144.71
    ethyl propionate 345.96
    nitromethane 1387.98
    1,2-diethoxyethane 342.89
    benzonitrile 555.55
    trioctyl phosphate 106.12
    1-bromopropane 694.95
    gamma-valerolactone 1077.84
    n-decanol 103.09
    triethyl phosphate 192.34
    4-methyl-2-pentanol 71.31
    propionitrile 618.52
    vinylene carbonate 831.14
    1,1,2-trichlorotrifluoroethane 736.24
    DMS 392.44
    cumene 126.93
    2-octanol 83.2
    2-hexanone 342.58
    octyl acetate 188.17
    limonene 205.74
    1,2-dimethoxyethane 719.61
    ethyl orthosilicate 152.84
    tributyl phosphate 140.73
    diacetone alcohol 263.08
    N,N-dimethylaniline 246.26
    acrylonitrile 887.32
    aniline 310.5
    1,3-propanediol 240.36
    bromobenzene 775.28
    dibromomethane 2124.08
    1,1,2,2-tetrachloroethane 1806.07
    2-methyl-cyclohexyl acetate 245.92
    tetrabutyl urea 196.62
    diisobutyl methanol 102.33
    2-phenylethanol 249.94
    styrene 271.07
    dioctyl adipate 240.9
    dimethyl sulfate 550.04
    ethyl butyrate 386.26
    methyl lactate 237.68
    butyl lactate 170.55
    diethyl carbonate 330.37
    propanediol butyl ether 178.88
    triethyl orthoformate 213.36
    p-tert-butyltoluene 127.02
    methyl 4-tert-butylbenzoate 280.77
    morpholine 741.03
    tert-butylamine 158.35
    n-dodecanol 89.74
    dimethoxymethane 638.35
    ethylene carbonate 660.32
    cyrene 271.01
    2-ethoxyethyl acetate 293.68
    2-ethylhexyl acetate 250.6
    1,2,4-trichlorobenzene 657.43
    4-methylpyridine 737.05
    dibutyl ether 226.5
    2,6-dimethyl-4-heptanol 102.33
    DEF 601.55
    dimethyl isosorbide 452.08
    tetrachloroethylene 1200.47
    eugenol 265.18
    triacetin 355.8
    span 80 198.81
    1,4-butanediol 115.29
    1,1-dichloroethane 1412.28
    2-methyl-1-pentanol 129.48
    methyl formate 748.49
    2-methyl-1-butanol 149.84
    n-decane 46.9
    butyronitrile 516.04
    3,7-dimethyl-1-octanol 144.19
    1-chlorooctane 170.45
    1-chlorotetradecane 79.97
    n-nonane 49.02
    undecane 37.67
    tert-butylcyclohexane 50.5
    cyclooctane 44.53
    cyclopentanol 324.79
    tetrahydropyran 661.72
    tert-amyl methyl ether 167.04
    2,5,8-trioxanonane 455.42
    1-hexene 140.44
    2-isopropoxyethanol 200.82
    2,2,2-trifluoroethanol 213.89
    methyl butyrate 529.59

    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