Hydroxycitronellal dimethyl acetal

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  • Identifiers

    CAS number
    141-92-4

    Molecular formula
    C12H26O3

    SMILES
    CC(CCCC(C)(C)O)CC(OC)OC

  • Odor profile

    Fragrance
    Floral 91.48%
    Green 81.35%
    Lily 66.61%
    Muguet 61.43%
    Rose 60.86%
    Fresh 54.15%
    Citrus 46.24%
    Sweet 42.05%
    Waxy 36.5%
    Lemon 36.35%

     

    Flavor
    Green 80.24%
    Waxy 53.66%
    Floral 53.63%
    Lily 44.52%
    Tropical 37.71%
    Oily 36.59%
    Mild 33.39%
    Earthy 33.23%
    Clean 30.5%
    Fruity 27.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.77 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 252.00 °C. @ 760.00 mm Hg

    Flash point

    • 97.92 ˚C est.

    Solubility expt.

    • insoluble in water and glycerol; slightly soluble in alcohol; soluble in oils
    • 1 ml in 2 ml 50% alcohol (in ethanol)

  • Synonyms

    • Hydroxycitronellal dimethyl acetal
    • 8,8-Dimethoxy-2,6-dimethyloctan-2-ol
    • 141-92-4
    • Laurine dimethyl acetal
    • 8,8-Dimethoxy-2,6-dimethyl-2-octanol
    • Hydroxycitronellal DMA
    • 2-Octanol, 8,8-dimethoxy-2,6-dimethyl-
    • 1,1-Dimethoxy-3,7-dimethyl-7-octanol
    • FEMA No. 2585
    • OCTANAL, 7-HYDROXY-3,7-DIMETHYL-, DIMETHYL ACETAL
    • NSC 76412
    • Citronellal hydrate dimethylacetal
    • EINECS 205-510-9
    • 7-Hydroxy-3,7-dimethyloctanal dimethyl acetal
    • DTXSID4047547
    • UNII-K989V651N4
    • AI3-05824
    • NSC-76412
    • K989V651N4
    • DTXCID2027547
    • Hydroxycitronella dimethyl acetal
    • 7-Hydroxy-3,7-dimethyloctanal, dimethyl acetal
    • HYDROXYCITRONELLAL DIMETHYL ACETAL [FCC]
    • HYDROXYCITRONELLAL DIMETHYL ACETAL [FHFI]
    • (+/-)-HYDROXYCITRONELLAL DIMETHYL ACETAL
    • HYDROXYCITRONELLAL DIMETHYL ACETAL, (+/-)-
    • NCIOpen2_004111
    • SCHEMBL997419
    • 7-Hydroxy-3, dimethyl acetal
    • hydroxycitronellal dimethylacetal
    • CHEMBL3184842
    • FEMA 2585
    • CHEBI:172458
    • NSC76412
    • Tox21_302540
    • Octanal,7-dimethyl-, dimethyl acetal
    • AKOS016011094
    • 2-Octanol,8-dimethoxy-2,6-dimethyl-
    • Hydroxydihydrocitronellal dimethyl acetal
    • NCGC00256762-01
    • CAS-141-92-4
    • DB-360575
    • NS00012632
    • G84025
    • Hydroxycitronellal dimethyl acetal, >=95%, FCC
    • Q27282124

  • Applications

    Hydroxycitronellal dimethyl acetal is primarily used as a fragrance ingredient in perfumery and cosmetics, acting as an odorant with a floral note and can serve as a light fixative in fragrance formulations. It is also used as a synthetic intermediate in fragrance chemistry for perfumes and personal care products. In industrial manufacturing and consumer household products, it may appear in scent-rich formulations for cleaners and detergents to impart fragrance. It can function as an aldehyde stabilizer during fragrance processing and may be added as a supplementary component in fragrance systems and formulation work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3073.22
    methanol 3629.11
    isopropanol 2684.56
    water 12.38
    ethyl acetate 887.31
    n-propanol 1997.3
    acetone 830.36
    n-butanol 1708.92
    acetonitrile 547.48
    DMF 792.66
    toluene 276.55
    isobutanol 1450.59
    1,4-dioxane 2251.68
    methyl acetate 617.87
    THF 2160.32
    2-butanone 596.32
    n-pentanol 1079.15
    sec-butanol 1716.33
    n-hexane 166.82
    ethylene glycol 555.26
    NMP 580.47
    cyclohexane 320.48
    DMSO 775.71
    n-butyl acetate 614.09
    n-octanol 611.64
    chloroform 2129.38
    n-propyl acetate 545.25
    acetic acid 1670.25
    dichloromethane 1225.59
    cyclohexanone 1035.42
    propylene glycol 1169.08
    isopropyl acetate 581.77
    DMAc 679.49
    2-ethoxyethanol 1413.8
    isopentanol 1162.85
    n-heptane 164.79
    ethyl formate 609.36
    1,2-dichloroethane 570.14
    n-hexanol 1292.01
    2-methoxyethanol 2305.8
    isobutyl acetate 409.16
    tetrachloromethane 358.69
    n-pentyl acetate 427.47
    transcutol 2230.54
    n-heptanol 587.27
    ethylbenzene 184.44
    MIBK 367.96
    2-propoxyethanol 1493.59
    tert-butanol 2817.24
    MTBE 1165.18
    2-butoxyethanol 848.1
    propionic acid 1074.29
    o-xylene 230.57
    formic acid 644.47
    diethyl ether 891.41
    m-xylene 227.71
    p-xylene 290.98
    chlorobenzene 315.91
    dimethyl carbonate 142.79
    n-octane 66.66
    formamide 425.14
    cyclopentanone 792.92
    2-pentanone 521.08
    anisole 353.63
    cyclopentyl methyl ether 851.75
    gamma-butyrolactone 902.83
    1-methoxy-2-propanol 1606.1
    pyridine 661.51
    3-pentanone 347.26
    furfural 706.48
    n-dodecane 49.41
    diethylene glycol 1041.64
    diisopropyl ether 289.25
    tert-amyl alcohol 1645.09
    acetylacetone 513.18
    n-hexadecane 54.49
    acetophenone 308.49
    methyl propionate 472.9
    isopentyl acetate 550.32
    trichloroethylene 1044.31
    n-nonanol 503.64
    cyclohexanol 1446.88
    benzyl alcohol 429.94
    2-ethylhexanol 583.83
    isooctanol 411.9
    dipropyl ether 538.36
    1,2-dichlorobenzene 287.65
    ethyl lactate 322.83
    propylene carbonate 640.6
    n-methylformamide 534.07
    2-pentanol 1017.46
    n-pentane 164.5
    1-propoxy-2-propanol 1097.31
    1-methoxy-2-propyl acetate 596.75
    2-(2-methoxypropoxy) propanol 536.84
    mesitylene 165.85
    ε-caprolactone 1016.68
    p-cymene 166.49
    epichlorohydrin 955.13
    1,1,1-trichloroethane 730.88
    2-aminoethanol 1252.02
    morpholine-4-carbaldehyde 1104.03
    sulfolane 760.96
    2,2,4-trimethylpentane 100.12
    2-methyltetrahydrofuran 1372.28
    n-hexyl acetate 656.13
    isooctane 78.68
    2-(2-butoxyethoxy)ethanol 868.79
    sec-butyl acetate 392.31
    tert-butyl acetate 630.75
    decalin 110.62
    glycerin 1081.39
    diglyme 1353.57
    acrylic acid 615.87
    isopropyl myristate 229.72
    n-butyric acid 1550.21
    acetyl acetate 479.15
    di(2-ethylhexyl) phthalate 218.91
    ethyl propionate 393.33
    nitromethane 1007.68
    1,2-diethoxyethane 703.57
    benzonitrile 404.43
    trioctyl phosphate 181.25
    1-bromopropane 513.47
    gamma-valerolactone 1338.85
    n-decanol 338.66
    triethyl phosphate 195.85
    4-methyl-2-pentanol 532.07
    propionitrile 578.21
    vinylene carbonate 562.45
    1,1,2-trichlorotrifluoroethane 1052.36
    DMS 305.64
    cumene 152.55
    2-octanol 415.98
    2-hexanone 451.42
    octyl acetate 305.23
    limonene 292.39
    1,2-dimethoxyethane 1558.89
    ethyl orthosilicate 224.0
    tributyl phosphate 209.42
    diacetone alcohol 751.41
    N,N-dimethylaniline 245.58
    acrylonitrile 462.36
    aniline 454.11
    1,3-propanediol 1681.31
    bromobenzene 294.31
    dibromomethane 859.43
    1,1,2,2-tetrachloroethane 1113.83
    2-methyl-cyclohexyl acetate 368.61
    tetrabutyl urea 233.93
    diisobutyl methanol 285.67
    2-phenylethanol 438.17
    styrene 200.81
    dioctyl adipate 298.47
    dimethyl sulfate 194.36
    ethyl butyrate 435.95
    methyl lactate 368.84
    butyl lactate 390.97
    diethyl carbonate 271.15
    propanediol butyl ether 875.2
    triethyl orthoformate 371.45
    p-tert-butyltoluene 177.62
    methyl 4-tert-butylbenzoate 365.02
    morpholine 2525.78
    tert-butylamine 1670.33
    n-dodecanol 251.88
    dimethoxymethane 657.24
    ethylene carbonate 572.02
    cyrene 401.87
    2-ethoxyethyl acetate 473.34
    2-ethylhexyl acetate 430.87
    1,2,4-trichlorobenzene 374.75
    4-methylpyridine 655.99
    dibutyl ether 490.14
    2,6-dimethyl-4-heptanol 285.67
    DEF 557.79
    dimethyl isosorbide 680.62
    tetrachloroethylene 742.01
    eugenol 358.05
    triacetin 529.15
    span 80 619.61
    1,4-butanediol 717.79
    1,1-dichloroethane 845.75
    2-methyl-1-pentanol 719.7
    methyl formate 378.66
    2-methyl-1-butanol 1046.45
    n-decane 97.15
    butyronitrile 791.94
    3,7-dimethyl-1-octanol 454.15
    1-chlorooctane 284.36
    1-chlorotetradecane 102.68
    n-nonane 100.76
    undecane 64.2
    tert-butylcyclohexane 122.36
    cyclooctane 95.98
    cyclopentanol 1344.69
    tetrahydropyran 1969.5
    tert-amyl methyl ether 736.51
    2,5,8-trioxanonane 835.36
    1-hexene 402.61
    2-isopropoxyethanol 905.76
    2,2,2-trifluoroethanol 436.6
    methyl butyrate 548.49

    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