2-Butyloctanoic acid

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  • Identifiers

    CAS number
    27610-92-0

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCC(CCCC)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 59.08%
    Fatty 58.67%
    Oily 53.2%
    Waxy 51.96%
    Green 41.34%
    Fruity 41.32%
    Cheesy 40.35%
    Citrus 38.35%
    Dairy 37.68%
    Woody 37.55%

     

    Flavor
    Fatty 50.88%
    Waxy 46.06%
    Oily 36.6%
    Mild 32.18%
    Fat 31.9%
    Green 27.08%
    Cheese 25.76%
    Odorless 25.16%
    Coconut 24.47%
    Soapy 24.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.49 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 134.49 ˚C est.

  • Synonyms

    • 2-Butyloctanoic acid
    • OCTANOIC ACID, 2-BUTYL-
    • butyloctanoic acid
    • EINECS 248-570-1
    • BRN 1765736
    • ISOCARB 12 ACID
    • UNII-89379760R4
    • JARIC I-12
    • DTXSID40884907
    • .ALPHA.-BUTYLCAPRYLIC ACID
    • 4-02-00-01112 (Beilstein Handbook Reference)
    • 89379760R4
    • RefChem:86048
    • ALPHA-BUTYLCAPRYLIC ACID
    • BUTYLOCTANOIC ACID [INCI]
    • DTXCID201024326
    • (+-)-2-BUTYLOCTANOIC ACID
    • 2-BUTYLOCTANOIC ACID, (+-)-
    • OARDBPIZDHVTCK-UHFFFAOYSA-N
    • 27610-92-0
    • 5-Undecanecarboxylic acid
    • 2-Butyloctansaeure
    • MFCD00661074
    • 2-Butyloctansaeure [German]
    • Isocarb 12; Jaric I 12; alpha-Butylcaprylic Acid; 2-Butyl-caprylic acid
    • 2-butyl octanoic acid
    • Octanoic acid,2-butyl-
    • 2-BUTYLOCTANOICACID
    • 2-Butyloctanoic acid, 96%
    • SCHEMBL112564
    • orb2664743
    • SCHEMBL7786862
    • CHEMBL1789216
    • SCHEMBL28238343
    • (+/-)-2-BUTYLOCTANOIC ACID
    • AKOS015894316
    • CS-W015603
    • 2-BUTYLOCTANOIC ACID, (+/-)-
    • BP-41427
    • FB170864
    • LS-14158
    • SY120802
    • NS00013418
    • D94634
    • F788363
    • Q27269992
    • 27610-92-0

  • Applications

    2-Butyloctanoic acid (CAS 27610-92-0) is a branched long-chain fatty acid principally used as an intermediate and building block across several industries: as a precursor for the preparation of fatty esters that function as lubricants and plasticizers for polymers and elastomers; as a feedstock for the production of surfactants and detergent-grade fatty acid derivatives; as a component in coatings and inks to modify processing properties and rheology; as a precursor to ester derivatives used in cosmetics and personal care as emollients; and as a foundational material for synthesizing specialty esters for chemical and additive applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9574.64
    methanol 8976.6
    isopropanol 11112.46
    water 0.11
    ethyl acetate 5867.71
    n-propanol 7872.27
    acetone 12672.55
    n-butanol 6136.5
    acetonitrile 3733.49
    DMF 9263.07
    toluene 1349.71
    isobutanol 6214.43
    1,4-dioxane 5482.14
    methyl acetate 3376.59
    THF 10237.75
    2-butanone 7058.05
    n-pentanol 3857.17
    sec-butanol 6940.89
    n-hexane 1959.3
    ethylene glycol 472.24
    NMP 5053.52
    cyclohexane 1538.99
    DMSO 8126.1
    n-butyl acetate 5182.92
    n-octanol 1268.97
    chloroform 4403.91
    n-propyl acetate 3984.57
    acetic acid 2427.42
    dichloromethane 4571.99
    cyclohexanone 8648.91
    propylene glycol 1206.77
    isopropyl acetate 4367.62
    DMAc 4093.69
    2-ethoxyethanol 2947.08
    isopentanol 5449.79
    n-heptane 500.05
    ethyl formate 2459.9
    1,2-dichloroethane 5004.76
    n-hexanol 4051.54
    2-methoxyethanol 5720.5
    isobutyl acetate 2222.84
    tetrachloromethane 910.28
    n-pentyl acetate 2600.23
    transcutol 7301.08
    n-heptanol 1521.77
    ethylbenzene 849.26
    MIBK 3572.51
    2-propoxyethanol 4314.46
    tert-butanol 10796.66
    MTBE 8761.53
    2-butoxyethanol 2257.83
    propionic acid 2841.02
    o-xylene 878.02
    formic acid 531.4
    diethyl ether 7118.16
    m-xylene 1071.62
    p-xylene 1098.28
    chlorobenzene 1910.36
    dimethyl carbonate 718.45
    n-octane 190.46
    formamide 1060.51
    cyclopentanone 8076.96
    2-pentanone 7218.22
    anisole 1459.63
    cyclopentyl methyl ether 5481.34
    gamma-butyrolactone 6463.49
    1-methoxy-2-propanol 5203.76
    pyridine 4068.81
    3-pentanone 3431.86
    furfural 3212.02
    n-dodecane 96.45
    diethylene glycol 1792.6
    diisopropyl ether 2350.85
    tert-amyl alcohol 6490.42
    acetylacetone 4368.93
    n-hexadecane 116.11
    acetophenone 1343.09
    methyl propionate 3308.07
    isopentyl acetate 4349.53
    trichloroethylene 6185.54
    n-nonanol 1017.78
    cyclohexanol 4937.48
    benzyl alcohol 1186.47
    2-ethylhexanol 2187.72
    isooctanol 1279.15
    dipropyl ether 3276.12
    1,2-dichlorobenzene 1587.81
    ethyl lactate 878.39
    propylene carbonate 3056.43
    n-methylformamide 3964.16
    2-pentanol 5056.28
    n-pentane 1050.08
    1-propoxy-2-propanol 3741.44
    1-methoxy-2-propyl acetate 3062.27
    2-(2-methoxypropoxy) propanol 1271.1
    mesitylene 717.81
    ε-caprolactone 5383.94
    p-cymene 511.99
    epichlorohydrin 6389.09
    1,1,1-trichloroethane 3895.37
    2-aminoethanol 1966.03
    morpholine-4-carbaldehyde 3887.8
    sulfolane 6725.61
    2,2,4-trimethylpentane 348.09
    2-methyltetrahydrofuran 8472.36
    n-hexyl acetate 2778.7
    isooctane 324.98
    2-(2-butoxyethoxy)ethanol 2161.32
    sec-butyl acetate 2591.9
    tert-butyl acetate 3895.01
    decalin 478.21
    glycerin 1011.38
    diglyme 3762.4
    acrylic acid 1496.03
    isopropyl myristate 816.16
    n-butyric acid 5923.07
    acetyl acetate 1866.01
    di(2-ethylhexyl) phthalate 601.2
    ethyl propionate 2704.03
    nitromethane 4307.12
    1,2-diethoxyethane 4082.08
    benzonitrile 1754.84
    trioctyl phosphate 538.83
    1-bromopropane 3893.63
    gamma-valerolactone 7338.75
    n-decanol 697.37
    triethyl phosphate 615.05
    4-methyl-2-pentanol 2284.43
    propionitrile 3801.78
    vinylene carbonate 2124.45
    1,1,2-trichlorotrifluoroethane 2771.14
    DMS 1228.55
    cumene 583.09
    2-octanol 1170.78
    2-hexanone 4014.96
    octyl acetate 1001.46
    limonene 1084.86
    1,2-dimethoxyethane 5456.72
    ethyl orthosilicate 680.05
    tributyl phosphate 709.21
    diacetone alcohol 3418.79
    N,N-dimethylaniline 1002.27
    acrylonitrile 3084.96
    aniline 1838.99
    1,3-propanediol 3076.75
    bromobenzene 1991.64
    dibromomethane 3721.6
    1,1,2,2-tetrachloroethane 5435.12
    2-methyl-cyclohexyl acetate 1457.71
    tetrabutyl urea 916.44
    diisobutyl methanol 1205.05
    2-phenylethanol 1421.69
    styrene 1103.12
    dioctyl adipate 976.85
    dimethyl sulfate 1165.66
    ethyl butyrate 2561.5
    methyl lactate 1057.03
    butyl lactate 1570.42
    diethyl carbonate 1102.06
    propanediol butyl ether 1786.93
    triethyl orthoformate 1403.23
    p-tert-butyltoluene 528.98
    methyl 4-tert-butylbenzoate 1153.99
    morpholine 8621.18
    tert-butylamine 7094.63
    n-dodecanol 495.41
    dimethoxymethane 4302.07
    ethylene carbonate 2138.49
    cyrene 1005.4
    2-ethoxyethyl acetate 2327.5
    2-ethylhexyl acetate 3010.92
    1,2,4-trichlorobenzene 1633.63
    4-methylpyridine 4363.04
    dibutyl ether 2440.29
    2,6-dimethyl-4-heptanol 1205.05
    DEF 6347.64
    dimethyl isosorbide 2024.48
    tetrachloroethylene 3415.0
    eugenol 1083.22
    triacetin 1356.17
    span 80 1371.99
    1,4-butanediol 1113.2
    1,1-dichloroethane 5633.86
    2-methyl-1-pentanol 2985.37
    methyl formate 1778.57
    2-methyl-1-butanol 4566.21
    n-decane 206.73
    butyronitrile 5285.84
    3,7-dimethyl-1-octanol 1380.82
    1-chlorooctane 981.07
    1-chlorotetradecane 283.74
    n-nonane 228.73
    undecane 135.0
    tert-butylcyclohexane 468.33
    cyclooctane 358.24
    cyclopentanol 5142.44
    tetrahydropyran 9752.7
    tert-amyl methyl ether 4205.15
    2,5,8-trioxanonane 2024.94
    1-hexene 4559.32
    2-isopropoxyethanol 2331.2
    2,2,2-trifluoroethanol 540.61
    methyl butyrate 4286.25

    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