3,7-Dimethyloctanal

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  • Identifiers

    CAS number
    5988-91-0

    Molecular formula
    C10H20O

    SMILES
    CC(C)CCCC(C)CC=O

  • Odor profile

    Green 85.76%
    Citrus 68.04%
    Fresh 62.44%
    Aldehydic 62.41%
    Sweet 60.03%
    Floral 57.7%
    Waxy 45.53%
    Fatty 44.81%
    Rose 42.17%
    Fruity 40.44%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 197.00 to 198.00 °C. @ 760.00 mm Hg

    Flash point est.
    73.83 ˚C

    Solubility expt.

    • 13 mg/L @ 20 °C (exp)
    • Practially insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3,7-Dimethyloctanal
    • Octanal, 3,7-dimethyl-
    • 5988-91-0
    • Tetrahydrogeranial
    • tetrahydrocitral
    • Dihydrocitronellal
    • 6,7-Dihydrocitronellal
    • BRN 1721497
    • UNII-F32WFZ5HGW
    • F32WFZ5HGW
    • EINECS 227-810-9
    • DTXSID4044826
    • 25795-46-4
    • DTXCID2024826
    • FEMA NO. 4348
    • 4-01-00-03371 (Beilstein Handbook Reference)
    • 3,7-DIMETHYLOCTANAL [FHFI]
    • (+/-)-3,7-DIMETHYLOCTANAL
    • 3,7-DIMETHYLOCTANAL, (+/-)-
    • Dihydro citronellal
    • MFCD00015403
    • 3,7-dimethyl octanal
    • 3,7-dimethyl-octanal
    • 3,7-dimethyl-1-octanal
    • SCHEMBL228041
    • CHEMBL3188979
    • 3,7-dimethyloctanal, AldrichCPR
    • Tox21_301231
    • AB7058
    • AKOS006229941
    • NCGC00256084-01
    • AS-44813
    • CAS-5988-91-0
    • NS00013206
    • Q27277559
    • 227-810-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3672.15
    methanol 2856.11
    isopropanol 3788.9
    water 0.24
    ethyl acetate 2037.2
    n-propanol 3087.03
    acetone 2765.15
    n-butanol 3085.91
    acetonitrile 1689.13
    DMF 1284.55
    toluene 648.73
    isobutanol 2234.52
    1,4-dioxane 2885.36
    methyl acetate 1235.01
    THF 4656.63
    2-butanone 1969.89
    n-pentanol 1770.14
    sec-butanol 2432.63
    n-hexane 1090.73
    ethylene glycol 235.31
    NMP 979.52
    cyclohexane 1133.22
    DMSO 1445.58
    n-butyl acetate 2477.4
    n-octanol 703.4
    chloroform 3299.72
    n-propyl acetate 1360.45
    acetic acid 1393.81
    dichloromethane 2413.95
    cyclohexanone 2933.85
    propylene glycol 592.46
    isopropyl acetate 1279.36
    DMAc 630.73
    2-ethoxyethanol 1273.34
    isopentanol 2356.46
    n-heptane 754.11
    ethyl formate 1051.76
    1,2-dichloroethane 1670.94
    n-hexanol 2904.37
    2-methoxyethanol 2249.14
    isobutyl acetate 821.39
    tetrachloromethane 734.42
    n-pentyl acetate 879.08
    transcutol 3534.74
    n-heptanol 853.89
    ethylbenzene 417.36
    MIBK 1121.32
    2-propoxyethanol 2454.94
    tert-butanol 3773.57
    MTBE 2469.88
    2-butoxyethanol 1099.47
    propionic acid 1300.63
    o-xylene 387.95
    formic acid 260.1
    diethyl ether 2629.95
    m-xylene 502.5
    p-xylene 546.25
    chlorobenzene 861.53
    dimethyl carbonate 173.96
    n-octane 173.61
    formamide 323.69
    cyclopentanone 2272.32
    2-pentanone 2067.25
    anisole 662.28
    cyclopentyl methyl ether 2100.22
    gamma-butyrolactone 2092.02
    1-methoxy-2-propanol 1848.63
    pyridine 1726.99
    3-pentanone 988.77
    furfural 1474.18
    n-dodecane 78.1
    diethylene glycol 966.79
    diisopropyl ether 787.28
    tert-amyl alcohol 2192.34
    acetylacetone 1249.02
    n-hexadecane 89.24
    acetophenone 522.1
    methyl propionate 961.73
    isopentyl acetate 1982.31
    trichloroethylene 2723.27
    n-nonanol 564.89
    cyclohexanol 2399.61
    benzyl alcohol 550.19
    2-ethylhexanol 1658.36
    isooctanol 663.28
    dipropyl ether 2205.27
    1,2-dichlorobenzene 716.82
    ethyl lactate 379.64
    propylene carbonate 1269.68
    n-methylformamide 850.04
    2-pentanol 2036.79
    n-pentane 712.43
    1-propoxy-2-propanol 2348.02
    1-methoxy-2-propyl acetate 1416.54
    2-(2-methoxypropoxy) propanol 675.43
    mesitylene 352.48
    ε-caprolactone 2094.57
    p-cymene 403.57
    epichlorohydrin 2367.98
    1,1,1-trichloroethane 1947.1
    2-aminoethanol 800.81
    morpholine-4-carbaldehyde 1340.3
    sulfolane 1711.38
    2,2,4-trimethylpentane 212.28
    2-methyltetrahydrofuran 3598.09
    n-hexyl acetate 1168.9
    isooctane 222.42
    2-(2-butoxyethoxy)ethanol 1069.5
    sec-butyl acetate 900.99
    tert-butyl acetate 1239.39
    decalin 307.43
    glycerin 506.55
    diglyme 1878.65
    acrylic acid 716.21
    isopropyl myristate 395.09
    n-butyric acid 2933.82
    acetyl acetate 737.21
    di(2-ethylhexyl) phthalate 294.99
    ethyl propionate 939.39
    nitromethane 1439.18
    1,2-diethoxyethane 1677.77
    benzonitrile 878.86
    trioctyl phosphate 253.86
    1-bromopropane 1757.37
    gamma-valerolactone 2862.11
    n-decanol 395.72
    triethyl phosphate 363.05
    4-methyl-2-pentanol 986.78
    propionitrile 1595.92
    vinylene carbonate 962.03
    1,1,2-trichlorotrifluoroethane 1298.86
    DMS 447.26
    cumene 299.36
    2-octanol 568.46
    2-hexanone 1596.6
    octyl acetate 455.63
    limonene 854.92
    1,2-dimethoxyethane 2255.74
    ethyl orthosilicate 411.87
    tributyl phosphate 339.24
    diacetone alcohol 1256.93
    N,N-dimethylaniline 373.7
    acrylonitrile 1215.27
    aniline 880.23
    1,3-propanediol 1436.96
    bromobenzene 866.14
    dibromomethane 2075.72
    1,1,2,2-tetrachloroethane 2260.37
    2-methyl-cyclohexyl acetate 850.17
    tetrabutyl urea 371.72
    diisobutyl methanol 877.43
    2-phenylethanol 815.0
    styrene 498.2
    dioctyl adipate 489.76
    dimethyl sulfate 232.33
    ethyl butyrate 1413.36
    methyl lactate 372.61
    butyl lactate 657.81
    diethyl carbonate 681.07
    propanediol butyl ether 823.07
    triethyl orthoformate 850.89
    p-tert-butyltoluene 393.39
    methyl 4-tert-butylbenzoate 484.66
    morpholine 3761.19
    tert-butylamine 2663.91
    n-dodecanol 295.18
    dimethoxymethane 963.47
    ethylene carbonate 973.54
    cyrene 460.23
    2-ethoxyethyl acetate 849.98
    2-ethylhexyl acetate 1493.76
    1,2,4-trichlorobenzene 765.05
    4-methylpyridine 1620.13
    dibutyl ether 1301.1
    2,6-dimethyl-4-heptanol 877.43
    DEF 1274.72
    dimethyl isosorbide 1094.15
    tetrachloroethylene 1544.61
    eugenol 461.72
    triacetin 633.07
    span 80 763.76
    1,4-butanediol 454.13
    1,1-dichloroethane 2378.6
    2-methyl-1-pentanol 1251.74
    methyl formate 492.06
    2-methyl-1-butanol 1802.8
    n-decane 165.79
    butyronitrile 2487.0
    3,7-dimethyl-1-octanol 780.63
    1-chlorooctane 524.27
    1-chlorotetradecane 167.21
    n-nonane 195.96
    undecane 108.5
    tert-butylcyclohexane 313.65
    cyclooctane 297.64
    cyclopentanol 2150.04
    tetrahydropyran 4654.03
    tert-amyl methyl ether 1350.73
    2,5,8-trioxanonane 990.85
    1-hexene 2196.5
    2-isopropoxyethanol 950.24
    2,2,2-trifluoroethanol 277.85
    methyl butyrate 1419.95

    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