Undecyl formate

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  • Identifiers

    CAS number
    5454-24-0

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCCCCCOC=O

  • Odor profile

    Fruity 75.04%
    Waxy 70.94%
    Citrus 65.36%
    Floral 58.38%
    Fatty 56.88%
    Rose 54.93%
    Fresh 54.8%
    Orange 48.07%
    Green 46.43%
    Sweet 44.86%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point est.
    105.49 ˚C

  • Synonyms

    • undecyl formate
    • 5454-24-0
    • 1-Undecanol, formate
    • 1-undecyl formate
    • NSC23053
    • formic acid undecyl ester
    • Formic acid, undecyl ester
    • SCHEMBL157307
    • DTXSID30281789
    • OASFNORBKVGDRW-UHFFFAOYSA-N
    • NSC-23053
    • G71202

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 958.68
    methanol 806.25
    isopropanol 1052.71
    water 0.01
    ethyl acetate 1935.73
    n-propanol 904.2
    acetone 2435.0
    n-butanol 919.75
    acetonitrile 901.69
    DMF 1498.12
    toluene 603.55
    isobutanol 747.69
    1,4-dioxane 1706.6
    methyl acetate 1058.82
    THF 3804.56
    2-butanone 1927.58
    n-pentanol 710.74
    sec-butanol 898.35
    n-hexane 452.92
    ethylene glycol 45.86
    NMP 1392.43
    cyclohexane 776.19
    DMSO 2562.65
    n-butyl acetate 1896.47
    n-octanol 311.0
    chloroform 2839.58
    n-propyl acetate 1721.15
    acetic acid 599.11
    dichloromethane 3208.52
    cyclohexanone 3308.29
    propylene glycol 140.38
    isopropyl acetate 1345.62
    DMAc 988.06
    2-ethoxyethanol 901.47
    isopentanol 979.7
    n-heptane 242.8
    ethyl formate 725.35
    1,2-dichloroethane 2699.8
    n-hexanol 768.84
    2-methoxyethanol 1266.44
    isobutyl acetate 932.37
    tetrachloromethane 537.93
    n-pentyl acetate 1024.2
    transcutol 3074.96
    n-heptanol 303.17
    ethylbenzene 386.42
    MIBK 1153.25
    2-propoxyethanol 1140.62
    tert-butanol 1496.64
    MTBE 1685.84
    2-butoxyethanol 685.05
    propionic acid 633.42
    o-xylene 384.95
    formic acid 81.1
    diethyl ether 1983.13
    m-xylene 429.09
    p-xylene 489.75
    chlorobenzene 940.93
    dimethyl carbonate 217.51
    n-octane 77.13
    formamide 185.25
    cyclopentanone 3035.75
    2-pentanone 2095.94
    anisole 697.11
    cyclopentyl methyl ether 2215.79
    gamma-butyrolactone 2535.59
    1-methoxy-2-propanol 1283.09
    pyridine 1899.3
    3-pentanone 1202.84
    furfural 1595.0
    n-dodecane 34.88
    diethylene glycol 417.78
    diisopropyl ether 611.6
    tert-amyl alcohol 1090.2
    acetylacetone 1631.7
    n-hexadecane 42.79
    acetophenone 682.05
    methyl propionate 1118.56
    isopentyl acetate 1443.14
    trichloroethylene 3751.62
    n-nonanol 275.54
    cyclohexanol 1264.86
    benzyl alcohol 485.36
    2-ethylhexanol 613.98
    isooctanol 315.49
    dipropyl ether 1429.72
    1,2-dichlorobenzene 884.78
    ethyl lactate 402.55
    propylene carbonate 1212.45
    n-methylformamide 640.29
    2-pentanol 835.63
    n-pentane 245.4
    1-propoxy-2-propanol 1200.01
    1-methoxy-2-propyl acetate 1175.81
    2-(2-methoxypropoxy) propanol 533.81
    mesitylene 318.56
    ε-caprolactone 2185.07
    p-cymene 262.8
    epichlorohydrin 2899.25
    1,1,1-trichloroethane 2412.24
    2-aminoethanol 211.36
    morpholine-4-carbaldehyde 1334.89
    sulfolane 2819.78
    2,2,4-trimethylpentane 98.32
    2-methyltetrahydrofuran 2984.14
    n-hexyl acetate 1030.81
    isooctane 83.63
    2-(2-butoxyethoxy)ethanol 785.36
    sec-butyl acetate 1112.98
    tert-butyl acetate 1436.84
    decalin 204.85
    glycerin 168.58
    diglyme 1670.36
    acrylic acid 383.04
    isopropyl myristate 350.32
    n-butyric acid 1563.46
    acetyl acetate 806.37
    di(2-ethylhexyl) phthalate 225.72
    ethyl propionate 1285.05
    nitromethane 1326.05
    1,2-diethoxyethane 1653.46
    benzonitrile 758.92
    trioctyl phosphate 188.41
    1-bromopropane 2018.37
    gamma-valerolactone 2932.53
    n-decanol 186.59
    triethyl phosphate 393.87
    4-methyl-2-pentanol 479.15
    propionitrile 985.66
    vinylene carbonate 852.98
    1,1,2-trichlorotrifluoroethane 1439.63
    DMS 528.35
    cumene 256.5
    2-octanol 268.55
    2-hexanone 1601.82
    octyl acetate 392.86
    limonene 503.1
    1,2-dimethoxyethane 2135.45
    ethyl orthosilicate 401.08
    tributyl phosphate 283.74
    diacetone alcohol 1163.62
    N,N-dimethylaniline 420.6
    acrylonitrile 933.17
    aniline 637.39
    1,3-propanediol 433.99
    bromobenzene 1138.83
    dibromomethane 2453.89
    1,1,2,2-tetrachloroethane 3265.34
    2-methyl-cyclohexyl acetate 752.9
    tetrabutyl urea 359.48
    diisobutyl methanol 411.68
    2-phenylethanol 501.07
    styrene 512.25
    dioctyl adipate 483.56
    dimethyl sulfate 405.28
    ethyl butyrate 1325.24
    methyl lactate 316.99
    butyl lactate 589.89
    diethyl carbonate 644.95
    propanediol butyl ether 477.47
    triethyl orthoformate 777.45
    p-tert-butyltoluene 247.25
    methyl 4-tert-butylbenzoate 511.74
    morpholine 2667.4
    tert-butylamine 1055.4
    n-dodecanol 137.95
    dimethoxymethane 1062.56
    ethylene carbonate 834.18
    cyrene 449.86
    2-ethoxyethyl acetate 1032.79
    2-ethylhexyl acetate 1124.02
    1,2,4-trichlorobenzene 937.29
    4-methylpyridine 1622.94
    dibutyl ether 1079.44
    2,6-dimethyl-4-heptanol 411.68
    DEF 1776.28
    dimethyl isosorbide 1053.06
    tetrachloroethylene 2014.58
    eugenol 437.06
    triacetin 730.86
    span 80 534.75
    1,4-butanediol 169.15
    1,1-dichloroethane 2631.12
    2-methyl-1-pentanol 642.68
    methyl formate 371.67
    2-methyl-1-butanol 783.14
    n-decane 82.6
    butyronitrile 1287.65
    3,7-dimethyl-1-octanol 399.35
    1-chlorooctane 380.61
    1-chlorotetradecane 109.58
    n-nonane 95.33
    undecane 49.65
    tert-butylcyclohexane 170.49
    cyclooctane 182.88
    cyclopentanol 1214.05
    tetrahydropyran 3498.12
    tert-amyl methyl ether 1137.15
    2,5,8-trioxanonane 903.59
    1-hexene 1216.38
    2-isopropoxyethanol 778.75
    2,2,2-trifluoroethanol 153.47
    methyl butyrate 1853.96

    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