Benzaldehyde dimethyl acetal

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  • Identifiers

    CAS number
    1125-88-8

    Molecular formula
    C9H12O2

    SMILES
    COC(C1=CC=CC=C1)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 85.56%
    Floral 69.64%
    Fruity 68.94%
    Earthy 61.65%
    Sweet 58.86%
    Almond 58.69%
    Bitter 45.12%
    Hyacinth 43.61%
    Rose 41.6%
    Fresh 39.81%

     

    Flavor
    Fruity 79.27%
    Green 77.27%
    Floral 76.47%
    Earthy 45.66%
    Wine 37.56%
    Mushroom 35.86%
    Rose 33.43%
    Sweet 32.25%
    Bitter 31.91%
    Jasmin 31.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.59 (weak acid)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 87.00 to 89.00 °C. @ 18.00 mm Hg

    Flash point

    • 72.75 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Benzaldehyde dimethyl acetal
    • 1125-88-8
    • (dimethoxymethyl)benzene
    • Dimethoxymethylbenzene
    • Dimethoxyphenylmethane
    • alpha,alpha-Dimethoxytoluene
    • benzaldehydedimethylacetal
    • BENZENE, (DIMETHOXYMETHYL)-
    • BENZALDEHYDE DIMETHYLACETAL
    • Benzaldehyde, dimethyl acetal
    • FEMA No. 2128
    • MFCD00008491
    • .alpha.,.alpha.-Dimethoxytoluene
    • 1-(dimethoxymethyl)benzene
    • W6T83K35CA
    • NSC-286137
    • Dimethoxymethyl-benzene
    • Benzene, dimethoxymethyl-
    • Toluene, alpha,alpha-dimethoxy-
    • EINECS 214-413-0
    • Benzaldehyde dimethyl acetal (natural)
    • NSC 286137
    • BRN 2044501
    • UNII-W6T83K35CA
    • ?,?-DIMETHOXYTOLUENE
    • AI3-36125
    • benzylidene acetal
    • (Dimethoxymethyl)benzene; Dimethoxyphenylmethane; NSC 286137; Phenyldimethoxymethane; alpha,alpha-Dimethoxytoluene; alpha-Methoxybenzyl Methyl Ether
    • dimethoxy-methyl-benzene
    • PhCH(OMe)2
    • (dimethoxymethyl)-Benzene
    • PHENYLDIMETHOXYMETHANE
    • SCHEMBL26689
    • alpha,alpha-Dimethoxy-Toluene
    • 4-07-00-00513 (Beilstein Handbook Reference)
    • DTXSID5061538
    • FEMA 2128
    • CHEBI:179257
    • Benzaldehyde dimethyl acetal, 95%
    • Benzaldehyde dimethyl acetal, 99%
    • BCP19759
    • CS-Z0014
    • STR01232
    • NSC286137
    • Toluene, .alpha.,.alpha.-dimethoxy-
    • AKOS009031613
    • FB10074
    • .ALPHA.-METHOXYBENZYL METHYL ETHER
    • BENZALDEHYDE DIMETHYL ACETAL [FHFI]
    • Benzaldehyde dimethyl acetal, >=98%, FG
    • DB-022538
    • B1197
    • NS00011996
    • EN300-20477
    • D70174
    • Benzaldehyde dimethyl acetal, analytical standard
    • doi:10.14272/HEVMDQBCAHEHDY-UHFFFAOYSA-N.1
    • Benzaldehyde dimethyl acetal, purum, >=98.0% (GC)
    • Q27292413
    • F0001-0273
    • InChI=1/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H
    • a,a-Dimethoxytoluene;(Dimethoxymethyl)benzene;Phenyldimethoxymethane;a-Methoxybenzyl methyl ether

  • Applications

    Benzaldehyde dimethyl acetal (CAS 1125-88-8) is a versatile organic compound widely used as a synthetic intermediate in the flavor, fragrance, pharmaceutical and agrochemical sectors; by masking the carbonyl group of benzaldehyde as a stable acetal, it enables multi-step reactions without interference from the aldehyde, facilitating construction of complex molecular frameworks for APIs, plant-growth regulators, pesticides and dyes; it also acts as a scent modifier in perfumery, offering benzaldehyde’s almond note with greater stability, serves as a flavor ingredient for confectionery and beverages, functions as an initiator or chain-transfer agent in polymer synthesis, a selective solvent in fine chemistry, and a precursor to benzylidene, benzyl and benzoyl derivatives via controlled hydrolysis; its moderate volatility, chemical robustness and the ability to regenerate the parent aldehyde on demand make it a flexible choice for research laboratories and large-scale manufacturing processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1541.09
    methanol 1680.54
    isopropanol 1022.97
    water 20.93
    ethyl acetate 1140.03
    n-propanol 1128.67
    acetone 1444.64
    n-butanol 981.43
    acetonitrile 2320.56
    DMF 1476.79
    toluene 591.09
    isobutanol 826.67
    1,4-dioxane 1949.29
    methyl acetate 1161.67
    THF 1628.71
    2-butanone 1052.03
    n-pentanol 649.98
    sec-butanol 877.19
    n-hexane 172.56
    ethylene glycol 486.87
    NMP 1037.1
    cyclohexane 455.14
    DMSO 1372.62
    n-butyl acetate 858.89
    n-octanol 431.66
    chloroform 6157.35
    n-propyl acetate 828.7
    acetic acid 1950.32
    dichloromethane 6301.77
    cyclohexanone 1444.96
    propylene glycol 376.19
    isopropyl acetate 510.93
    DMAc 876.0
    2-ethoxyethanol 998.05
    isopentanol 658.17
    n-heptane 274.62
    ethyl formate 1379.19
    1,2-dichloroethane 2837.17
    n-hexanol 665.25
    2-methoxyethanol 1425.06
    isobutyl acetate 464.14
    tetrachloromethane 1335.49
    n-pentyl acetate 492.21
    transcutol 1174.94
    n-heptanol 411.76
    ethylbenzene 368.8
    MIBK 405.53
    2-propoxyethanol 835.86
    tert-butanol 1106.38
    MTBE 731.78
    2-butoxyethanol 576.42
    propionic acid 1124.62
    o-xylene 401.86
    formic acid 739.33
    diethyl ether 1093.73
    m-xylene 358.9
    p-xylene 489.04
    chlorobenzene 1060.1
    dimethyl carbonate 431.81
    n-octane 106.02
    formamide 1213.17
    cyclopentanone 1482.68
    2-pentanone 794.47
    anisole 652.84
    cyclopentyl methyl ether 798.13
    gamma-butyrolactone 1795.5
    1-methoxy-2-propanol 793.21
    pyridine 1728.61
    3-pentanone 671.57
    furfural 1519.98
    n-dodecane 71.09
    diethylene glycol 629.74
    diisopropyl ether 268.59
    tert-amyl alcohol 833.59
    acetylacetone 705.14
    n-hexadecane 79.95
    acetophenone 589.78
    methyl propionate 792.8
    isopentyl acetate 572.27
    trichloroethylene 4552.76
    n-nonanol 350.74
    cyclohexanol 866.7
    benzyl alcohol 568.11
    2-ethylhexanol 470.37
    isooctanol 319.05
    dipropyl ether 740.66
    1,2-dichlorobenzene 989.46
    ethyl lactate 368.34
    propylene carbonate 1183.1
    n-methylformamide 1383.94
    2-pentanol 585.06
    n-pentane 228.17
    1-propoxy-2-propanol 642.75
    1-methoxy-2-propyl acetate 451.56
    2-(2-methoxypropoxy) propanol 349.94
    mesitylene 251.15
    ε-caprolactone 1180.26
    p-cymene 304.3
    epichlorohydrin 2072.85
    1,1,1-trichloroethane 2675.59
    2-aminoethanol 734.05
    morpholine-4-carbaldehyde 1140.82
    sulfolane 1620.01
    2,2,4-trimethylpentane 102.63
    2-methyltetrahydrofuran 1301.16
    n-hexyl acetate 636.02
    isooctane 75.77
    2-(2-butoxyethoxy)ethanol 489.05
    sec-butyl acetate 420.66
    tert-butyl acetate 461.72
    decalin 153.58
    glycerin 525.35
    diglyme 1206.25
    acrylic acid 1037.51
    isopropyl myristate 241.6
    n-butyric acid 1360.53
    acetyl acetate 646.47
    di(2-ethylhexyl) phthalate 197.37
    ethyl propionate 619.15
    nitromethane 2586.06
    1,2-diethoxyethane 669.9
    benzonitrile 939.92
    trioctyl phosphate 176.93
    1-bromopropane 1579.88
    gamma-valerolactone 1478.11
    n-decanol 251.53
    triethyl phosphate 307.95
    4-methyl-2-pentanol 266.46
    propionitrile 1516.25
    vinylene carbonate 1241.32
    1,1,2-trichlorotrifluoroethane 1467.54
    DMS 383.36
    cumene 261.69
    2-octanol 290.37
    2-hexanone 630.39
    octyl acetate 313.8
    limonene 426.92
    1,2-dimethoxyethane 1625.75
    ethyl orthosilicate 309.86
    tributyl phosphate 202.92
    diacetone alcohol 477.44
    N,N-dimethylaniline 423.15
    acrylonitrile 1666.67
    aniline 705.04
    1,3-propanediol 899.45
    bromobenzene 1208.95
    dibromomethane 4071.81
    1,1,2,2-tetrachloroethane 3334.28
    2-methyl-cyclohexyl acetate 411.0
    tetrabutyl urea 261.68
    diisobutyl methanol 280.42
    2-phenylethanol 451.9
    styrene 507.68
    dioctyl adipate 328.99
    dimethyl sulfate 540.28
    ethyl butyrate 761.86
    methyl lactate 365.27
    butyl lactate 340.05
    diethyl carbonate 567.81
    propanediol butyl ether 400.72
    triethyl orthoformate 487.64
    p-tert-butyltoluene 277.25
    methyl 4-tert-butylbenzoate 440.95
    morpholine 1835.24
    tert-butylamine 783.41
    n-dodecanol 197.91
    dimethoxymethane 1024.12
    ethylene carbonate 1090.53
    cyrene 396.46
    2-ethoxyethyl acetate 512.69
    2-ethylhexyl acetate 453.04
    1,2,4-trichlorobenzene 974.04
    4-methylpyridine 1274.04
    dibutyl ether 513.4
    2,6-dimethyl-4-heptanol 280.42
    DEF 951.78
    dimethyl isosorbide 607.12
    tetrachloroethylene 2554.37
    eugenol 404.73
    triacetin 457.72
    span 80 333.5
    1,4-butanediol 455.99
    1,1-dichloroethane 2889.04
    2-methyl-1-pentanol 488.74
    methyl formate 1228.35
    2-methyl-1-butanol 697.84
    n-decane 122.66
    butyronitrile 1539.09
    3,7-dimethyl-1-octanol 317.82
    1-chlorooctane 416.15
    1-chlorotetradecane 151.91
    n-nonane 140.39
    undecane 88.91
    tert-butylcyclohexane 127.9
    cyclooctane 155.28
    cyclopentanol 925.69
    tetrahydropyran 1673.16
    tert-amyl methyl ether 520.07
    2,5,8-trioxanonane 679.35
    1-hexene 435.28
    2-isopropoxyethanol 612.83
    2,2,2-trifluoroethanol 798.45
    methyl butyrate 963.02

    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