Citral dimethyl acetal

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  • Identifiers

    CAS number
    7549-37-3

    Molecular formula
    C12H22O2

    SMILES
    CC(=CCC/C(=C/C(OC)OC)/C)C

  • Odor profile

    Fragrance
    Citrus 75.34%
    Floral 72.67%
    Green 63.33%
    Lemon 60.24%
    Fresh 56.55%
    Sweet 47.53%
    Rose 47.43%
    Herbal 44.6%
    Waxy 40.18%
    Muguet 34.89%

     

    Flavor
    Green 63.16%
    Floral 63.04%
    Fruity 61.46%
    Rose 52.5%
    Sweet 50.71%
    Waxy 43.47%
    Bitter 40.17%
    Citrus 39.58%
    Tropical 38.44%
    Geranium 36.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.24 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 80.34 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Citral dimethyl acetal
    • 7549-37-3
    • 1,1-Dimethoxy-3,7-dimethylocta-2,6-diene
    • geranial dimethyl acetal
    • CITRAL DIMETHYLACETAL
    • 1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene
    • 3,7-Dimethyl-2,6-octadienal dimethyl acetal
    • FEMA No. 2305
    • 75128-98-2
    • (2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
    • EINECS 231-434-0
    • BRN 1706336
    • AI3-36025
    • FEMA No. 2305, E-
    • (E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
    • 2,6-Octadienal, 3,7-dimethyl-, dimethyl acetal
    • 3B1N36AM3A
    • 6ZOD5NW633
    • DTXCID6024832
    • DTXSID8044832
    • CHEBI:132331
    • 4-01-00-03570 (Beilstein Handbook Reference)
    • (2E)-1,1-Dimethoxy-3,7-dimethyl-octa-2,6-diene
    • 1,1-Dimethoxy-3,7-dimethyl-octa-2,6-diene, (2E)-
    • 2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl-, (E)-
    • 2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl-, (2E)-
    • 2,6-OCTADIENE, 1,1-DIMETHOXY-3,7-DIMETHYL-, (cis and trans)
    • citraldimethylacetal
    • UNII-3B1N36AM3A
    • UNII-6ZOD5NW633
    • MFCD00008909
    • SCHEMBL234869
    • Citral dimethyl acetal, >=90%
    • DTXSID00226086
    • CITRAL DIMETHYL ACETAL[FHFI]
    • Tox21_301619
    • AKOS025310809
    • NCGC00256256-01
    • LS-14141
    • CAS-7549-37-3
    • 3,7-Dimethyl-2,6-octadienal, dimethyl acetal
    • 3,7-DIMETHYL-2,6-OCTADIENYL DIMETHYL ACETAL
    • Q27225539
    • 231-434-0

  • Applications

    Citral dimethyl acetal (CAS 7549-37-3) is a mildly lemon-scented liquid widely used as a fragrance modifier in perfumes, soaps, detergents, air-fresheners and personal-care products, as well as a flavour additive in foods; it also functions as an intermediate for synthesising citrus-type aroma chemicals, natural-identical flavours, vitamins A/E and certain pharmaceuticals, serves as an odour-masking agent in coatings, printing inks and specialty solvents, enriches the sensory profile of non-alcoholic beverages, confectionery and baked goods, and, owing to its moderate volatility and high stability, is further employed as a reaction solvent, light plasticiser and diluent in resins, UV-curable inks and polymer coatings to enhance gloss, oxidative resistance and processability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 808.5
    methanol 478.58
    isopropanol 875.01
    water 0.54
    ethyl acetate 902.82
    n-propanol 748.08
    acetone 576.05
    n-butanol 903.99
    acetonitrile 500.23
    DMF 426.77
    toluene 563.59
    isobutanol 652.88
    1,4-dioxane 1591.0
    methyl acetate 586.44
    THF 1549.58
    2-butanone 611.32
    n-pentanol 603.18
    sec-butanol 987.3
    n-hexane 470.52
    ethylene glycol 79.23
    NMP 448.88
    cyclohexane 865.22
    DMSO 403.47
    n-butyl acetate 634.17
    n-octanol 398.37
    chloroform 2946.35
    n-propyl acetate 498.37
    acetic acid 651.02
    dichloromethane 1922.99
    cyclohexanone 961.67
    propylene glycol 235.71
    isopropyl acetate 541.41
    DMAc 492.51
    2-ethoxyethanol 664.45
    isopentanol 718.26
    n-heptane 361.31
    ethyl formate 396.71
    1,2-dichloroethane 966.93
    n-hexanol 835.4
    2-methoxyethanol 799.21
    isobutyl acetate 344.51
    tetrachloromethane 660.63
    n-pentyl acetate 436.34
    transcutol 1394.63
    n-heptanol 403.71
    ethylbenzene 354.9
    MIBK 374.18
    2-propoxyethanol 746.45
    tert-butanol 1400.64
    MTBE 1174.3
    2-butoxyethanol 499.43
    propionic acid 470.17
    o-xylene 386.31
    formic acid 102.69
    diethyl ether 1146.18
    m-xylene 410.67
    p-xylene 463.71
    chlorobenzene 544.86
    dimethyl carbonate 129.25
    n-octane 131.71
    formamide 124.87
    cyclopentanone 728.47
    2-pentanone 585.2
    anisole 463.31
    cyclopentyl methyl ether 910.43
    gamma-butyrolactone 677.67
    1-methoxy-2-propanol 711.28
    pyridine 830.97
    3-pentanone 455.02
    furfural 589.27
    n-dodecane 71.08
    diethylene glycol 352.78
    diisopropyl ether 400.2
    tert-amyl alcohol 1218.13
    acetylacetone 466.88
    n-hexadecane 80.89
    acetophenone 382.83
    methyl propionate 435.12
    isopentyl acetate 553.54
    trichloroethylene 1749.44
    n-nonanol 352.97
    cyclohexanol 1093.44
    benzyl alcohol 371.24
    2-ethylhexanol 555.17
    isooctanol 326.49
    dipropyl ether 702.84
    1,2-dichlorobenzene 485.3
    ethyl lactate 239.64
    propylene carbonate 487.68
    n-methylformamide 183.89
    2-pentanol 797.73
    n-pentane 425.67
    1-propoxy-2-propanol 655.24
    1-methoxy-2-propyl acetate 466.02
    2-(2-methoxypropoxy) propanol 398.73
    mesitylene 283.59
    ε-caprolactone 838.23
    p-cymene 259.57
    epichlorohydrin 988.45
    1,1,1-trichloroethane 1451.6
    2-aminoethanol 234.63
    morpholine-4-carbaldehyde 593.22
    sulfolane 640.74
    2,2,4-trimethylpentane 174.03
    2-methyltetrahydrofuran 1450.52
    n-hexyl acetate 592.34
    isooctane 127.16
    2-(2-butoxyethoxy)ethanol 543.79
    sec-butyl acetate 401.65
    tert-butyl acetate 553.33
    decalin 226.29
    glycerin 225.23
    diglyme 915.03
    acrylic acid 309.88
    isopropyl myristate 251.07
    n-butyric acid 838.05
    acetyl acetate 487.62
    di(2-ethylhexyl) phthalate 198.17
    ethyl propionate 431.44
    nitromethane 516.42
    1,2-diethoxyethane 676.8
    benzonitrile 458.71
    trioctyl phosphate 162.48
    1-bromopropane 974.28
    gamma-valerolactone 833.74
    n-decanol 257.06
    triethyl phosphate 231.16
    4-methyl-2-pentanol 391.61
    propionitrile 536.79
    vinylene carbonate 429.35
    1,1,2-trichlorotrifluoroethane 724.42
    DMS 308.58
    cumene 238.67
    2-octanol 323.51
    2-hexanone 471.82
    octyl acetate 308.71
    limonene 425.28
    1,2-dimethoxyethane 971.89
    ethyl orthosilicate 257.44
    tributyl phosphate 182.94
    diacetone alcohol 510.75
    N,N-dimethylaniline 319.74
    acrylonitrile 421.84
    aniline 529.59
    1,3-propanediol 432.46
    bromobenzene 622.33
    dibromomethane 1523.41
    1,1,2,2-tetrachloroethane 1673.91
    2-methyl-cyclohexyl acetate 411.52
    tetrabutyl urea 210.48
    diisobutyl methanol 325.46
    2-phenylethanol 393.78
    styrene 387.27
    dioctyl adipate 301.92
    dimethyl sulfate 175.74
    ethyl butyrate 493.67
    methyl lactate 200.82
    butyl lactate 297.05
    diethyl carbonate 336.52
    propanediol butyl ether 385.65
    triethyl orthoformate 385.16
    p-tert-butyltoluene 255.59
    methyl 4-tert-butylbenzoate 374.63
    morpholine 1662.67
    tert-butylamine 1125.31
    n-dodecanol 201.9
    dimethoxymethane 425.53
    ethylene carbonate 409.74
    cyrene 325.34
    2-ethoxyethyl acetate 448.19
    2-ethylhexyl acetate 463.92
    1,2,4-trichlorobenzene 578.06
    4-methylpyridine 840.2
    dibutyl ether 551.49
    2,6-dimethyl-4-heptanol 325.46
    DEF 559.85
    dimethyl isosorbide 588.12
    tetrachloroethylene 1043.23
    eugenol 334.69
    triacetin 463.89
    span 80 442.22
    1,4-butanediol 195.81
    1,1-dichloroethane 1361.49
    2-methyl-1-pentanol 524.81
    methyl formate 151.19
    2-methyl-1-butanol 696.48
    n-decane 136.15
    butyronitrile 763.31
    3,7-dimethyl-1-octanol 365.1
    1-chlorooctane 341.6
    1-chlorotetradecane 138.69
    n-nonane 153.93
    undecane 91.48
    tert-butylcyclohexane 210.25
    cyclooctane 276.12
    cyclopentanol 746.84
    tetrahydropyran 1979.57
    tert-amyl methyl ether 850.36
    2,5,8-trioxanonane 574.43
    1-hexene 806.58
    2-isopropoxyethanol 519.94
    2,2,2-trifluoroethanol 179.83
    methyl butyrate 534.12

    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