2,2-Dimethyloctanoic acid

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  • Identifiers

    CAS number
    29662-90-6

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCC(C)(C)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fatty 67.7%
    Waxy 54.95%
    Cheesy 53.67%
    Oily 44.96%
    Fruity 41.93%
    Dairy 41.58%
    Sour 40.11%
    Herbal 39.54%
    Creamy 39.06%
    Green 37.79%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.55 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    254°C

    Flash point est.
    111.35 ˚C

  • Synonyms

    • 2,2-Dimethyloctanoic acid
    • 29662-90-6
    • Octanoic acid, 2,2-dimethyl-
    • 2,2-dimethyl octanoic acid
    • UNII-5RV14V52PN
    • 5RV14V52PN
    • DTXSID0058356
    • .ALPHA.,.ALPHA.-DIMETHYLOCTANOIC ACID
    • 2,2-Dimethyloctanoicacid
    • 2,2-Dimethyloctanoic Acid; a,a-Dimethyloctanoic Acid; 2,2-Dimethyl-Octanoic Acid;
    • 2,2,-dimethyl octanoic acid
    • 2,2-Dimethyloctanoic acid #
    • SCHEMBL284791
    • alpha,alpha-dimethyloctanoic acid
    • DTXCID4032087
    • EBA66290
    • AKOS012034274
    • AT41178
    • CS-0222085
    • EN300-110267
    • Q27262786

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3320.84
    methanol 3346.33
    isopropanol 3397.95
    water 0.75
    ethyl acetate 2686.95
    n-propanol 2551.44
    acetone 2338.47
    n-butanol 2352.9
    acetonitrile 1479.06
    DMF 2505.23
    toluene 519.78
    isobutanol 2304.2
    1,4-dioxane 2851.14
    methyl acetate 1664.11
    THF 3689.1
    2-butanone 2167.25
    n-pentanol 1812.8
    sec-butanol 2784.26
    n-hexane 792.7
    ethylene glycol 301.61
    NMP 1595.71
    cyclohexane 472.19
    DMSO 1497.5
    n-butyl acetate 2353.17
    n-octanol 990.99
    chloroform 2049.71
    n-propyl acetate 1729.59
    acetic acid 1259.05
    dichloromethane 1394.48
    cyclohexanone 2436.01
    propylene glycol 680.8
    isopropyl acetate 2156.44
    DMAc 1798.28
    2-ethoxyethanol 1842.76
    isopentanol 2586.71
    n-heptane 222.21
    ethyl formate 1153.62
    1,2-dichloroethane 1417.57
    n-hexanol 2478.5
    2-methoxyethanol 2636.55
    isobutyl acetate 1210.04
    tetrachloromethane 514.18
    n-pentyl acetate 1160.59
    transcutol 4592.05
    n-heptanol 1057.82
    ethylbenzene 497.46
    MIBK 1565.97
    2-propoxyethanol 2489.97
    tert-butanol 5086.97
    MTBE 4869.64
    2-butoxyethanol 1450.98
    propionic acid 1322.13
    o-xylene 489.85
    formic acid 431.06
    diethyl ether 2758.72
    m-xylene 549.45
    p-xylene 686.06
    chlorobenzene 752.79
    dimethyl carbonate 395.38
    n-octane 118.23
    formamide 670.84
    cyclopentanone 2287.42
    2-pentanone 2202.37
    anisole 976.02
    cyclopentyl methyl ether 2043.62
    gamma-butyrolactone 2236.09
    1-methoxy-2-propanol 2435.71
    pyridine 1248.92
    3-pentanone 1359.94
    furfural 1390.31
    n-dodecane 67.21
    diethylene glycol 1209.95
    diisopropyl ether 1246.3
    tert-amyl alcohol 4164.2
    acetylacetone 1599.6
    n-hexadecane 78.44
    acetophenone 797.05
    methyl propionate 1511.4
    isopentyl acetate 2242.97
    trichloroethylene 2159.94
    n-nonanol 815.97
    cyclohexanol 1739.39
    benzyl alcohol 726.29
    2-ethylhexanol 1383.59
    isooctanol 983.62
    dipropyl ether 1368.53
    1,2-dichlorobenzene 766.35
    ethyl lactate 549.87
    propylene carbonate 1364.02
    n-methylformamide 1419.34
    2-pentanol 2333.2
    n-pentane 392.89
    1-propoxy-2-propanol 2157.73
    1-methoxy-2-propyl acetate 1773.27
    2-(2-methoxypropoxy) propanol 1028.89
    mesitylene 436.44
    ε-caprolactone 2014.71
    p-cymene 344.54
    epichlorohydrin 2307.82
    1,1,1-trichloroethane 1671.33
    2-aminoethanol 997.49
    morpholine-4-carbaldehyde 1970.65
    sulfolane 1992.96
    2,2,4-trimethylpentane 281.99
    2-methyltetrahydrofuran 3141.61
    n-hexyl acetate 1585.23
    isooctane 278.86
    2-(2-butoxyethoxy)ethanol 1647.64
    sec-butyl acetate 1498.67
    tert-butyl acetate 2447.23
    decalin 278.6
    glycerin 665.53
    diglyme 2424.94
    acrylic acid 747.92
    isopropyl myristate 528.62
    n-butyric acid 2553.65
    acetyl acetate 987.12
    di(2-ethylhexyl) phthalate 402.75
    ethyl propionate 1332.35
    nitromethane 1802.69
    1,2-diethoxyethane 2016.18
    benzonitrile 869.31
    trioctyl phosphate 353.7
    1-bromopropane 1167.84
    gamma-valerolactone 2636.43
    n-decanol 558.62
    triethyl phosphate 389.54
    4-methyl-2-pentanol 1455.79
    propionitrile 1548.1
    vinylene carbonate 1049.44
    1,1,2-trichlorotrifluoroethane 1334.97
    DMS 728.84
    cumene 422.67
    2-octanol 842.23
    2-hexanone 1720.76
    octyl acetate 651.94
    limonene 605.74
    1,2-dimethoxyethane 2861.44
    ethyl orthosilicate 461.18
    tributyl phosphate 456.33
    diacetone alcohol 2100.11
    N,N-dimethylaniline 720.63
    acrylonitrile 1255.46
    aniline 791.01
    1,3-propanediol 1543.35
    bromobenzene 731.88
    dibromomethane 1161.67
    1,1,2,2-tetrachloroethane 2225.4
    2-methyl-cyclohexyl acetate 917.69
    tetrabutyl urea 506.58
    diisobutyl methanol 786.87
    2-phenylethanol 916.1
    styrene 548.23
    dioctyl adipate 607.26
    dimethyl sulfate 563.12
    ethyl butyrate 1288.37
    methyl lactate 609.93
    butyl lactate 871.75
    diethyl carbonate 629.9
    propanediol butyl ether 1249.36
    triethyl orthoformate 814.89
    p-tert-butyltoluene 375.44
    methyl 4-tert-butylbenzoate 849.78
    morpholine 3675.8
    tert-butylamine 3715.19
    n-dodecanol 401.95
    dimethoxymethane 1648.12
    ethylene carbonate 997.36
    cyrene 700.01
    2-ethoxyethyl acetate 1213.47
    2-ethylhexyl acetate 1584.83
    1,2,4-trichlorobenzene 824.2
    4-methylpyridine 1514.94
    dibutyl ether 1107.82
    2,6-dimethyl-4-heptanol 786.87
    DEF 2268.44
    dimethyl isosorbide 1418.5
    tetrachloroethylene 1500.86
    eugenol 795.37
    triacetin 854.57
    span 80 1021.97
    1,4-butanediol 678.17
    1,1-dichloroethane 1838.41
    2-methyl-1-pentanol 1858.31
    methyl formate 805.58
    2-methyl-1-butanol 2203.92
    n-decane 138.67
    butyronitrile 2050.29
    3,7-dimethyl-1-octanol 1096.94
    1-chlorooctane 557.8
    1-chlorotetradecane 181.14
    n-nonane 146.67
    undecane 93.58
    tert-butylcyclohexane 355.22
    cyclooctane 165.03
    cyclopentanol 1688.63
    tetrahydropyran 3269.96
    tert-amyl methyl ether 2814.61
    2,5,8-trioxanonane 1408.89
    1-hexene 1828.6
    2-isopropoxyethanol 1592.92
    2,2,2-trifluoroethanol 399.27
    methyl butyrate 1829.56

    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