Undecanal

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  • Identifiers

    CAS number
    112-44-7

    Molecular formula
    C11H22O

    SMILES
    CCCCCCCCCCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Citrus 84.7%
    Waxy 79.23%
    Fatty 73.25%
    Orange 70.66%
    Aldehydic 69.52%
    Floral 69.23%
    Fresh 64.99%
    Green 63.5%
    Sweet 60.46%
    Rose 57.05%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -4 °C

    Boiling point

    • 109.00 to 115.00 °C. @ 5.00 mm Hg

    Flash point est.
    97.14 ˚C

    Solubility expt.

    • soluble in most fixed oils, propylene glycol; insoluble in glycerol, water
    • 1 ml in 5 ml of 70% alcohol (in ethanol)

  • Synonyms

    • UNDECANAL
    • 112-44-7
    • Undecyl aldehyde
    • Undecanaldehyde
    • n-Undecanal
    • Undecylic aldehyde
    • 1-Undecanal
    • Undecylaldehyde
    • Hendecanal
    • Hendecanaldehyde
    • n-Undecyl aldehyde
    • Aldehyde C-11
    • C11 aldehyde
    • C-11 aldehyde, undecylic
    • Aldehyde C-11, undecylic
    • Undecanone, alpha-
    • Undecanal (natural)
    • FEMA No. 3092
    • NSC 22578
    • UNII-B6P0A9PSHN
    • B6P0A9PSHN
    • EINECS 203-972-6
    • MFCD00007016
    • BRN 1753213
    • DTXSID4021688
    • CHEBI:46202
    • AI3-05098
    • UNDECANAL [FCC]
    • UNDECANAL [FHFI]
    • NSC-22578
    • UNDECANONE, .ALPHA.-
    • DTXCID901688
    • EC 203-972-6
    • UNDECANAL (ALDEHYDE C-11 UNDECYLIC)
    • nUndecanal
    • 1Undecanal
    • nUndecyl aldehyde
    • Undecanone, alpha
    • N-Indecyl aldehyde
    • Aldehyde C11
    • Undecanal, 97%
    • 1gt4
    • C11 aldehyde, undecylic
    • Aldehyde C11, undecylic
    • Aldehyde C-11 undecyclic
    • SCHEMBL22333
    • Undecanal, FCC, >=96%
    • WLN: VH10
    • Undecanal, analytical standard
    • CHEMBL1236576
    • FEMA 3092
    • 1e02
    • NSC22578
    • Tox21_200538
    • LMFA06000064
    • AKOS009158017
    • CS-W004300
    • DB04093
    • NCGC00248685-01
    • NCGC00258092-01
    • CAS-112-44-7
    • SY048699
    • NS00003761
    • U0009
    • H10685
    • EN300-1721289
    • Q7883008
    • Z993017862
    • 203-972-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3098.23
    methanol 2177.14
    isopropanol 3750.49
    water 0.01
    ethyl acetate 4657.11
    n-propanol 3209.69
    acetone 6148.9
    n-butanol 3270.45
    acetonitrile 2432.11
    DMF 2481.52
    toluene 1477.81
    isobutanol 2431.34
    1,4-dioxane 3969.2
    methyl acetate 2351.27
    THF 8114.23
    2-butanone 4727.11
    n-pentanol 2268.27
    sec-butanol 2984.93
    n-hexane 2888.31
    ethylene glycol 133.99
    NMP 1952.1
    cyclohexane 2924.17
    DMSO 4056.91
    n-butyl acetate 5008.31
    n-octanol 855.71
    chloroform 5848.55
    n-propyl acetate 3817.55
    acetic acid 1131.71
    dichloromethane 6272.72
    cyclohexanone 6381.65
    propylene glycol 393.39
    isopropyl acetate 2895.23
    DMAc 1397.92
    2-ethoxyethanol 1882.62
    isopentanol 2998.94
    n-heptane 1415.41
    ethyl formate 1616.03
    1,2-dichloroethane 5317.48
    n-hexanol 2781.17
    2-methoxyethanol 2810.58
    isobutyl acetate 1940.29
    tetrachloromethane 1278.6
    n-pentyl acetate 2087.77
    transcutol 6246.2
    n-heptanol 924.34
    ethylbenzene 921.68
    MIBK 2516.98
    2-propoxyethanol 3027.77
    tert-butanol 4215.05
    MTBE 4724.26
    2-butoxyethanol 1526.85
    propionic acid 1450.97
    o-xylene 768.86
    formic acid 137.34
    diethyl ether 6465.44
    m-xylene 944.69
    p-xylene 1110.32
    chlorobenzene 1873.58
    dimethyl carbonate 357.71
    n-octane 350.26
    formamide 291.12
    cyclopentanone 5249.3
    2-pentanone 5299.32
    anisole 1355.45
    cyclopentyl methyl ether 4906.41
    gamma-butyrolactone 4084.84
    1-methoxy-2-propanol 2875.22
    pyridine 3718.41
    3-pentanone 2820.05
    furfural 2470.89
    n-dodecane 127.02
    diethylene glycol 964.07
    diisopropyl ether 1839.5
    tert-amyl alcohol 2914.7
    acetylacetone 2883.16
    n-hexadecane 155.78
    acetophenone 1151.54
    methyl propionate 2382.17
    isopentyl acetate 3595.46
    trichloroethylene 6110.85
    n-nonanol 750.57
    cyclohexanol 3356.59
    benzyl alcohol 946.15
    2-ethylhexanol 2109.69
    isooctanol 866.9
    dipropyl ether 5124.0
    1,2-dichlorobenzene 1539.61
    ethyl lactate 725.97
    propylene carbonate 2065.0
    n-methylformamide 1226.05
    2-pentanol 2808.89
    n-pentane 1388.18
    1-propoxy-2-propanol 3209.96
    1-methoxy-2-propyl acetate 2483.16
    2-(2-methoxypropoxy) propanol 937.77
    mesitylene 658.74
    ε-caprolactone 4115.38
    p-cymene 647.69
    epichlorohydrin 4896.22
    1,1,1-trichloroethane 4683.97
    2-aminoethanol 562.12
    morpholine-4-carbaldehyde 2207.61
    sulfolane 3909.01
    2,2,4-trimethylpentane 347.5
    2-methyltetrahydrofuran 7042.01
    n-hexyl acetate 2221.43
    isooctane 334.28
    2-(2-butoxyethoxy)ethanol 1520.97
    sec-butyl acetate 2311.34
    tert-butyl acetate 2823.13
    decalin 664.28
    glycerin 385.95
    diglyme 3114.64
    acrylic acid 752.12
    isopropyl myristate 747.17
    n-butyric acid 3702.68
    acetyl acetate 1434.32
    di(2-ethylhexyl) phthalate 414.91
    ethyl propionate 2797.08
    nitromethane 2094.31
    1,2-diethoxyethane 4307.48
    benzonitrile 1552.14
    trioctyl phosphate 369.68
    1-bromopropane 5352.03
    gamma-valerolactone 4964.09
    n-decanol 511.79
    triethyl phosphate 754.68
    4-methyl-2-pentanol 1353.74
    propionitrile 2873.08
    vinylene carbonate 1444.75
    1,1,2-trichlorotrifluoroethane 2179.05
    DMS 887.25
    cumene 567.01
    2-octanol 754.78
    2-hexanone 3905.29
    octyl acetate 798.18
    limonene 1405.0
    1,2-dimethoxyethane 4673.16
    ethyl orthosilicate 821.87
    tributyl phosphate 558.85
    diacetone alcohol 2166.43
    N,N-dimethylaniline 774.63
    acrylonitrile 2223.79
    aniline 1487.31
    1,3-propanediol 1173.4
    bromobenzene 2215.9
    dibromomethane 5393.37
    1,1,2,2-tetrachloroethane 5199.52
    2-methyl-cyclohexyl acetate 1472.91
    tetrabutyl urea 671.15
    diisobutyl methanol 1220.68
    2-phenylethanol 1102.68
    styrene 1237.21
    dioctyl adipate 932.07
    dimethyl sulfate 549.11
    ethyl butyrate 3329.69
    methyl lactate 586.43
    butyl lactate 1155.27
    diethyl carbonate 1393.01
    propanediol butyl ether 926.93
    triethyl orthoformate 1776.87
    p-tert-butyltoluene 614.59
    methyl 4-tert-butylbenzoate 803.07
    morpholine 6071.77
    tert-butylamine 3256.04
    n-dodecanol 384.47
    dimethoxymethane 2186.4
    ethylene carbonate 1539.82
    cyrene 654.84
    2-ethoxyethyl acetate 1917.88
    2-ethylhexyl acetate 2845.34
    1,2,4-trichlorobenzene 1526.45
    4-methylpyridine 3445.93
    dibutyl ether 3325.84
    2,6-dimethyl-4-heptanol 1220.68
    DEF 3759.84
    dimethyl isosorbide 1681.22
    tetrachloroethylene 3534.98
    eugenol 705.14
    triacetin 1179.23
    span 80 1013.95
    1,4-butanediol 416.6
    1,1-dichloroethane 5909.27
    2-methyl-1-pentanol 1872.91
    methyl formate 675.34
    2-methyl-1-butanol 2388.23
    n-decane 312.86
    butyronitrile 3898.99
    3,7-dimethyl-1-octanol 1097.87
    1-chlorooctane 1048.19
    1-chlorotetradecane 306.25
    n-nonane 392.7
    undecane 184.5
    tert-butylcyclohexane 596.87
    cyclooctane 723.51
    cyclopentanol 2939.24
    tetrahydropyran 9075.76
    tert-amyl methyl ether 2896.33
    2,5,8-trioxanonane 1559.4
    1-hexene 5541.91
    2-isopropoxyethanol 1615.06
    2,2,2-trifluoroethanol 234.14
    methyl butyrate 3861.45

    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