Isodecyl formate

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  • Identifiers

    CAS number
    36311-36-1

    Molecular formula
    C11H22O2

    SMILES
    CC(C)CCCCCCCOC=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 68.3%
    Green 68.22%
    Floral 64.48%
    Waxy 59.48%
    Fresh 58.87%
    Citrus 57.06%
    Rose 55.4%
    Sweet 54.88%
    Herbal 44.63%
    Aldehydic 41.84%

     

    Flavor
    Waxy 65.07%
    Floral 57.4%
    Rose 55.18%
    Green 50.24%
    Clean 39.3%
    Fresh 39.24%
    Soapy 38.53%
    Bitter 37.69%
    Oily 37.6%
    Fruity 36.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.86 (neutral)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    225°C

    Flash point

    • 90.16 ˚C est.

  • Synonyms

    • Isodecyl formate
    • 36311-36-1
    • EINECS 252-965-4
    • DTXSID40189848
    • RefChem:149257
    • DTXCID00112339
    • 252-965-4
    • 8-methylnonyl formate
    • SCHEMBL93166
    • SCHEMBL3031777
    • IAZGXKVGMCDFMK-UHFFFAOYSA-N
    • NS00058194
    • 36311-36-1

  • Applications

    Isodecyl formate (CAS 36311-36-1) is used as an aroma chemical in perfumery, providing mild, long-lasting notes and potentially serving as a fixative due to its relatively low volatility; in cosmetics and personal care it functions as a solvent and carrier for fragrances and active ingredients in products such as lotions and creams; in coatings, inks and adhesives it acts as a processing solvent or co-solvent to dissolve resins and adjust evaporation behavior; in cleaning and household formulations it can be employed as a solvent component for degreasing and surface cleaning; and in polymer-related formulations it may be used as a processing solvent or co-solvent to aid resin dissolution during formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2434.15
    methanol 2019.12
    isopropanol 2254.56
    water 0.02
    ethyl acetate 2554.09
    n-propanol 1972.56
    acetone 3276.87
    n-butanol 1824.36
    acetonitrile 1401.52
    DMF 1383.74
    toluene 619.69
    isobutanol 1388.27
    1,4-dioxane 2149.85
    methyl acetate 1327.88
    THF 4573.05
    2-butanone 2562.86
    n-pentanol 1334.6
    sec-butanol 1714.21
    n-hexane 493.91
    ethylene glycol 109.95
    NMP 982.41
    cyclohexane 561.36
    DMSO 2270.8
    n-butyl acetate 2044.37
    n-octanol 379.53
    chloroform 2931.6
    n-propyl acetate 1835.95
    acetic acid 922.01
    dichloromethane 3014.64
    cyclohexanone 3086.64
    propylene glycol 339.55
    isopropyl acetate 1587.55
    DMAc 842.32
    2-ethoxyethanol 1422.23
    isopentanol 1659.76
    n-heptane 185.61
    ethyl formate 893.85
    1,2-dichloroethane 2530.12
    n-hexanol 1314.42
    2-methoxyethanol 2112.51
    isobutyl acetate 1021.49
    tetrachloromethane 464.52
    n-pentyl acetate 868.72
    transcutol 4054.05
    n-heptanol 406.33
    ethylbenzene 361.47
    MIBK 1342.15
    2-propoxyethanol 1787.78
    tert-butanol 2585.1
    MTBE 2473.05
    2-butoxyethanol 847.04
    propionic acid 889.16
    o-xylene 350.06
    formic acid 142.94
    diethyl ether 2775.27
    m-xylene 451.9
    p-xylene 443.58
    chlorobenzene 835.66
    dimethyl carbonate 206.34
    n-octane 60.1
    formamide 264.26
    cyclopentanone 2714.73
    2-pentanone 2625.5
    anisole 713.63
    cyclopentyl methyl ether 2349.49
    gamma-butyrolactone 2158.89
    1-methoxy-2-propanol 1987.39
    pyridine 1717.4
    3-pentanone 1267.35
    furfural 1421.18
    n-dodecane 30.05
    diethylene glycol 760.38
    diisopropyl ether 694.9
    tert-amyl alcohol 1761.04
    acetylacetone 1633.15
    n-hexadecane 36.35
    acetophenone 617.1
    methyl propionate 1235.81
    isopentyl acetate 1640.76
    trichloroethylene 3455.25
    n-nonanol 328.26
    cyclohexanol 1656.62
    benzyl alcohol 562.76
    2-ethylhexanol 800.49
    isooctanol 370.11
    dipropyl ether 1379.0
    1,2-dichlorobenzene 720.74
    ethyl lactate 423.24
    propylene carbonate 1140.4
    n-methylformamide 747.38
    2-pentanol 1458.96
    n-pentane 273.32
    1-propoxy-2-propanol 1649.42
    1-methoxy-2-propyl acetate 1406.44
    2-(2-methoxypropoxy) propanol 643.94
    mesitylene 304.54
    ε-caprolactone 2093.4
    p-cymene 243.22
    epichlorohydrin 3117.32
    1,1,1-trichloroethane 2141.82
    2-aminoethanol 491.21
    morpholine-4-carbaldehyde 1287.7
    sulfolane 2124.26
    2,2,4-trimethylpentane 106.34
    2-methyltetrahydrofuran 3564.47
    n-hexyl acetate 1005.17
    isooctane 99.7
    2-(2-butoxyethoxy)ethanol 956.36
    sec-butyl acetate 1233.6
    tert-butyl acetate 1574.42
    decalin 175.37
    glycerin 300.25
    diglyme 1866.93
    acrylic acid 477.24
    isopropyl myristate 327.69
    n-butyric acid 2117.79
    acetyl acetate 841.65
    di(2-ethylhexyl) phthalate 234.55
    ethyl propionate 1305.51
    nitromethane 1472.79
    1,2-diethoxyethane 1852.19
    benzonitrile 751.76
    trioctyl phosphate 188.39
    1-bromopropane 2037.17
    gamma-valerolactone 2888.04
    n-decanol 224.9
    triethyl phosphate 334.39
    4-methyl-2-pentanol 716.69
    propionitrile 1358.75
    vinylene carbonate 790.5
    1,1,2-trichlorotrifluoroethane 1441.03
    DMS 478.99
    cumene 246.77
    2-octanol 301.78
    2-hexanone 1929.58
    octyl acetate 373.32
    limonene 472.73
    1,2-dimethoxyethane 2441.16
    ethyl orthosilicate 360.72
    tributyl phosphate 277.38
    diacetone alcohol 1431.95
    N,N-dimethylaniline 387.08
    acrylonitrile 1146.73
    aniline 745.41
    1,3-propanediol 883.83
    bromobenzene 932.73
    dibromomethane 2351.77
    1,1,2,2-tetrachloroethane 2788.62
    2-methyl-cyclohexyl acetate 721.58
    tetrabutyl urea 313.19
    diisobutyl methanol 474.72
    2-phenylethanol 609.13
    styrene 475.05
    dioctyl adipate 445.28
    dimethyl sulfate 314.04
    ethyl butyrate 1272.52
    methyl lactate 390.53
    butyl lactate 567.01
    diethyl carbonate 590.72
    propanediol butyl ether 620.92
    triethyl orthoformate 705.21
    p-tert-butyltoluene 242.86
    methyl 4-tert-butylbenzoate 473.13
    morpholine 3486.23
    tert-butylamine 1610.72
    n-dodecanol 161.61
    dimethoxymethane 1188.84
    ethylene carbonate 776.04
    cyrene 463.07
    2-ethoxyethyl acetate 975.47
    2-ethylhexyl acetate 1156.84
    1,2,4-trichlorobenzene 779.96
    4-methylpyridine 1613.55
    dibutyl ether 986.17
    2,6-dimethyl-4-heptanol 474.72
    DEF 1711.82
    dimethyl isosorbide 1056.85
    tetrachloroethylene 1696.82
    eugenol 442.36
    triacetin 654.89
    span 80 613.62
    1,4-butanediol 324.94
    1,1-dichloroethane 2824.43
    2-methyl-1-pentanol 1062.97
    methyl formate 399.36
    2-methyl-1-butanol 1308.64
    n-decane 69.7
    butyronitrile 1821.54
    3,7-dimethyl-1-octanol 503.85
    1-chlorooctane 338.19
    1-chlorotetradecane 98.84
    n-nonane 77.96
    undecane 43.18
    tert-butylcyclohexane 168.69
    cyclooctane 136.45
    cyclopentanol 1509.61
    tetrahydropyran 4170.48
    tert-amyl methyl ether 1367.23
    2,5,8-trioxanonane 994.52
    1-hexene 1632.58
    2-isopropoxyethanol 1092.76
    2,2,2-trifluoroethanol 175.8
    methyl butyrate 1866.27

    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