2,5,7,7-Tetramethyloctanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    114119-97-0

    Molecular formula
    C12H24O

    SMILES
    CC(CCC(C)C=O)CC(C)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 73.44%
    Citrus 58.66%
    Aldehydic 58.01%
    Green 57.59%
    Fresh 50.18%
    Woody 48.56%
    Waxy 47.42%
    Lily 45.53%
    Muguet 43.68%
    Rose 40.77%

     

    Flavor
    Floral 62.86%
    Green 62.24%
    Citrus 46.32%
    Waxy 39.29%
    Aldehydic 38.73%
    Fresh 38.71%
    Lily 32.38%
    Oily 31.74%
    Woody 30.7%
    Earthy 29.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.29 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 87.43 ˚C est.

  • Synonyms

    • 2,5,7,7-Tetramethyloctanal
    • Octanal, 2,5,7,7-tetramethyl-
    • UNII-6OW783V7Z9
    • 6OW783V7Z9
    • EC 405-690-0
    • DTXSID00888865
    • RefChem:82664
    • DTXCID401028136
    • 405-690-0
    • 114119-97-0
    • Lyrisal
    • tetramethyl octanol
    • orb1986777
    • SCHEMBL1516608
    • AKOS006228891
    • 2,5,7,7-Tetramethyloctanal, AldrichCPR
    • NS00077653
    • 114119-97-0

  • Applications

    2,5,7,7-Tetramethyloctanal (CAS 114119-97-0) is an aliphatic aldehyde commonly used as a building block and odorant in fragrance chemistry. It may serve as an intermediate in the synthesis of fragrance compounds and as an aroma component in perfumery; it can also find use in cosmetics/personal care formulations as an aroma ingredient, in household products such as cleaners and air fresheners as a scent additive, and in flavor chemistry as a potential flavor intermediate, with industrial manufacturing contexts depending on formulation controls and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2603.5
    methanol 2181.07
    isopropanol 2742.54
    water 0.91
    ethyl acetate 2945.74
    n-propanol 2512.99
    acetone 2428.56
    n-butanol 3008.91
    acetonitrile 1499.32
    DMF 1798.58
    toluene 1346.45
    isobutanol 2563.63
    1,4-dioxane 2845.02
    methyl acetate 2108.2
    THF 4643.25
    2-butanone 2426.23
    n-pentanol 1723.47
    sec-butanol 2634.12
    n-hexane 1903.19
    ethylene glycol 306.68
    NMP 1756.07
    cyclohexane 1587.77
    DMSO 1010.87
    n-butyl acetate 4002.85
    n-octanol 1408.52
    chloroform 3869.42
    n-propyl acetate 1903.73
    acetic acid 1689.6
    dichloromethane 2513.53
    cyclohexanone 3512.64
    propylene glycol 684.09
    isopropyl acetate 2787.73
    DMAc 1690.61
    2-ethoxyethanol 1520.54
    isopentanol 3199.87
    n-heptane 1071.5
    ethyl formate 1302.38
    1,2-dichloroethane 2145.68
    n-hexanol 4050.82
    2-methoxyethanol 2319.03
    isobutyl acetate 1687.16
    tetrachloromethane 1250.08
    n-pentyl acetate 1618.8
    transcutol 5021.97
    n-heptanol 1446.93
    ethylbenzene 940.9
    MIBK 2370.67
    2-propoxyethanol 3612.33
    tert-butanol 4060.12
    MTBE 4993.68
    2-butoxyethanol 1777.94
    propionic acid 1561.97
    o-xylene 1029.56
    formic acid 393.12
    diethyl ether 3608.71
    m-xylene 1309.5
    p-xylene 1205.96
    chlorobenzene 1477.67
    dimethyl carbonate 549.3
    n-octane 364.64
    formamide 348.35
    cyclopentanone 2945.47
    2-pentanone 2817.23
    anisole 1295.89
    cyclopentyl methyl ether 3412.01
    gamma-butyrolactone 2600.1
    1-methoxy-2-propanol 2363.33
    pyridine 1664.19
    3-pentanone 1864.96
    furfural 1965.82
    n-dodecane 188.84
    diethylene glycol 1476.51
    diisopropyl ether 2223.68
    tert-amyl alcohol 3328.64
    acetylacetone 2056.21
    n-hexadecane 212.42
    acetophenone 1039.75
    methyl propionate 1752.77
    isopentyl acetate 3897.7
    trichloroethylene 3560.34
    n-nonanol 1163.87
    cyclohexanol 2985.1
    benzyl alcohol 844.53
    2-ethylhexanol 2495.16
    isooctanol 1279.53
    dipropyl ether 2852.7
    1,2-dichlorobenzene 1333.84
    ethyl lactate 760.0
    propylene carbonate 1865.51
    n-methylformamide 1008.95
    2-pentanol 2672.26
    n-pentane 1273.65
    1-propoxy-2-propanol 3276.25
    1-methoxy-2-propyl acetate 2998.53
    2-(2-methoxypropoxy) propanol 1327.68
    mesitylene 1055.44
    ε-caprolactone 3039.75
    p-cymene 855.56
    epichlorohydrin 2996.92
    1,1,1-trichloroethane 3625.74
    2-aminoethanol 804.42
    morpholine-4-carbaldehyde 2140.13
    sulfolane 2154.81
    2,2,4-trimethylpentane 695.76
    2-methyltetrahydrofuran 4478.0
    n-hexyl acetate 2476.61
    isooctane 698.4
    2-(2-butoxyethoxy)ethanol 1972.95
    sec-butyl acetate 1891.82
    tert-butyl acetate 3439.21
    decalin 764.29
    glycerin 732.22
    diglyme 2985.17
    acrylic acid 978.73
    isopropyl myristate 906.58
    n-butyric acid 3174.83
    acetyl acetate 1560.96
    di(2-ethylhexyl) phthalate 599.61
    ethyl propionate 1641.49
    nitromethane 1738.59
    1,2-diethoxyethane 2428.27
    benzonitrile 1227.43
    trioctyl phosphate 540.06
    1-bromopropane 2470.05
    gamma-valerolactone 3466.66
    n-decanol 806.12
    triethyl phosphate 706.52
    4-methyl-2-pentanol 2031.78
    propionitrile 1745.29
    vinylene carbonate 1445.13
    1,1,2-trichlorotrifluoroethane 2027.66
    DMS 1232.08
    cumene 791.18
    2-octanol 1062.73
    2-hexanone 2077.0
    octyl acetate 1026.5
    limonene 1538.04
    1,2-dimethoxyethane 2616.12
    ethyl orthosilicate 863.41
    tributyl phosphate 752.84
    diacetone alcohol 2556.81
    N,N-dimethylaniline 929.87
    acrylonitrile 1343.88
    aniline 1237.54
    1,3-propanediol 1344.64
    bromobenzene 1545.11
    dibromomethane 2166.26
    1,1,2,2-tetrachloroethane 3186.6
    2-methyl-cyclohexyl acetate 1675.32
    tetrabutyl urea 789.04
    diisobutyl methanol 1469.54
    2-phenylethanol 1377.43
    styrene 900.36
    dioctyl adipate 939.59
    dimethyl sulfate 670.29
    ethyl butyrate 2204.55
    methyl lactate 825.55
    butyl lactate 1247.68
    diethyl carbonate 1142.24
    propanediol butyl ether 1479.17
    triethyl orthoformate 1554.59
    p-tert-butyltoluene 919.53
    methyl 4-tert-butylbenzoate 1183.13
    morpholine 3396.77
    tert-butylamine 3535.73
    n-dodecanol 593.02
    dimethoxymethane 1698.37
    ethylene carbonate 1463.42
    cyrene 865.75
    2-ethoxyethyl acetate 1580.71
    2-ethylhexyl acetate 2974.19
    1,2,4-trichlorobenzene 1448.75
    4-methylpyridine 2190.21
    dibutyl ether 2113.1
    2,6-dimethyl-4-heptanol 1469.54
    DEF 2288.9
    dimethyl isosorbide 1959.84
    tetrachloroethylene 2197.71
    eugenol 942.59
    triacetin 1393.66
    span 80 1282.88
    1,4-butanediol 526.97
    1,1-dichloroethane 3136.61
    2-methyl-1-pentanol 1798.15
    methyl formate 772.47
    2-methyl-1-butanol 2746.13
    n-decane 384.17
    butyronitrile 2562.04
    3,7-dimethyl-1-octanol 1651.14
    1-chlorooctane 1164.68
    1-chlorotetradecane 411.25
    n-nonane 436.66
    undecane 255.24
    tert-butylcyclohexane 845.11
    cyclooctane 659.41
    cyclopentanol 2246.42
    tetrahydropyran 4362.52
    tert-amyl methyl ether 3658.88
    2,5,8-trioxanonane 1631.09
    1-hexene 3024.71
    2-isopropoxyethanol 1428.6
    2,2,2-trifluoroethanol 547.29
    methyl butyrate 2092.74

    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