12-Methyltridecanal

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  • Identifiers

    CAS number
    75853-49-5

    Molecular formula
    C14H28O

    SMILES
    CC(C)CCCCCCCCCCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 71.89%
    Waxy 70.19%
    Citrus 65.87%
    Aldehydic 48.29%
    Fresh 46.44%
    Sweet 45.49%
    Orange 42.61%
    Fruity 38.26%
    Meaty 38.1%
    Green 37.11%

     

    Flavor
    Waxy 68.87%
    Citrus 54.4%
    Aldehydic 49.65%
    Fresh 49.03%
    Floral 45.98%
    Fatty 42.71%
    Fat 41.61%
    Soapy 40.59%
    Orange 33.06%
    Rose 32.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.29 (neutral)

    Molecular weight
    212.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    275°C

    Flash point

    • 120.59 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in heptane
    • soluble (in ethanol)

  • Synonyms

    • 12-Methyltridecanal
    • 75853-49-5
    • Isotetradecan-1-al
    • 12-MT Aldehyde
    • Tridecanal, 12-methyl-
    • T2RF910W7E
    • 93843-20-0
    • FEMA NO. 4005
    • DTXSID20868381
    • 12-METHYLTRIDECANAL [FHFI]
    • MFCD10000650
    • Isotetradecanal
    • 12-Methyl-tridecanal
    • UNII-T2RF910W7E
    • EINECS 299-099-3
    • SCHEMBL756048
    • DTXCID10816497
    • 12-Methyltridecanal, tech. grade
    • LMFA06000257
    • AKOS015902044
    • FM25968
    • DB-238207
    • M3275
    • NS00124144
    • F16552
    • Q27289588
    • 616-272-4

  • Applications

    12-Methyltridecanal (CAS 75853-49-5) is primarily used in fragrance applications as an odorant and, due to its long aliphatic chain, can function as a fixative component in perfumery. It is also evaluated for use in cosmetics/personal care formulations as a fragrance ingredient; in household products such as laundry detergents and air fresheners it may contribute a lasting aroma. In flavor chemistry, branched long-chain aldehydes are sometimes explored as aroma ingredients within regulated limits. Additionally, it may serve as an intermediate in the synthesis of other fragrance compounds or specialty esters for plastics and polymers, depending on formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1771.49
    methanol 904.44
    isopropanol 2308.13
    water 0.01
    ethyl acetate 3137.8
    n-propanol 1897.66
    acetone 3322.52
    n-butanol 2140.77
    acetonitrile 1076.44
    DMF 1440.82
    toluene 965.39
    isobutanol 1601.93
    1,4-dioxane 2671.35
    methyl acetate 1485.05
    THF 6464.57
    2-butanone 3103.75
    n-pentanol 1461.32
    sec-butanol 2007.11
    n-hexane 1637.34
    ethylene glycol 48.81
    NMP 1297.18
    cyclohexane 2096.9
    DMSO 1955.55
    n-butyl acetate 3649.07
    n-octanol 621.76
    chloroform 3819.94
    n-propyl acetate 2700.32
    acetic acid 558.93
    dichloromethane 3717.17
    cyclohexanone 4491.67
    propylene glycol 198.2
    isopropyl acetate 2348.03
    DMAc 1102.18
    2-ethoxyethanol 1364.09
    isopentanol 2177.03
    n-heptane 989.12
    ethyl formate 1044.32
    1,2-dichloroethane 3247.48
    n-hexanol 1799.17
    2-methoxyethanol 1702.09
    isobutyl acetate 1632.63
    tetrachloromethane 932.29
    n-pentyl acetate 1762.9
    transcutol 4695.47
    n-heptanol 692.98
    ethylbenzene 659.95
    MIBK 2128.72
    2-propoxyethanol 2096.3
    tert-butanol 2980.79
    MTBE 3944.07
    2-butoxyethanol 1221.93
    propionic acid 795.53
    o-xylene 631.46
    formic acid 59.25
    diethyl ether 4303.01
    m-xylene 715.02
    p-xylene 835.57
    chlorobenzene 1234.76
    dimethyl carbonate 234.64
    n-octane 251.52
    formamide 122.06
    cyclopentanone 3459.25
    2-pentanone 3649.66
    anisole 1012.55
    cyclopentyl methyl ether 3657.89
    gamma-butyrolactone 2651.89
    1-methoxy-2-propanol 2046.0
    pyridine 2148.57
    3-pentanone 1892.14
    furfural 1636.86
    n-dodecane 94.94
    diethylene glycol 615.29
    diisopropyl ether 1459.27
    tert-amyl alcohol 2210.91
    acetylacetone 2153.99
    n-hexadecane 116.31
    acetophenone 911.41
    methyl propionate 1479.16
    isopentyl acetate 3093.85
    trichloroethylene 3919.35
    n-nonanol 568.89
    cyclohexanol 2531.75
    benzyl alcohol 653.57
    2-ethylhexanol 1548.52
    isooctanol 735.46
    dipropyl ether 3737.92
    1,2-dichlorobenzene 1148.75
    ethyl lactate 572.1
    propylene carbonate 1558.1
    n-methylformamide 586.88
    2-pentanol 1911.41
    n-pentane 846.66
    1-propoxy-2-propanol 2501.58
    1-methoxy-2-propyl acetate 2154.39
    2-(2-methoxypropoxy) propanol 822.77
    mesitylene 566.12
    ε-caprolactone 3019.01
    p-cymene 545.5
    epichlorohydrin 3462.97
    1,1,1-trichloroethane 3294.05
    2-aminoethanol 267.65
    morpholine-4-carbaldehyde 1599.26
    sulfolane 2745.86
    2,2,4-trimethylpentane 297.62
    2-methyltetrahydrofuran 4978.36
    n-hexyl acetate 1837.41
    isooctane 281.47
    2-(2-butoxyethoxy)ethanol 1303.22
    sec-butyl acetate 2043.26
    tert-butyl acetate 2549.84
    decalin 524.8
    glycerin 200.77
    diglyme 2596.77
    acrylic acid 359.12
    isopropyl myristate 670.91
    n-butyric acid 2432.43
    acetyl acetate 1088.7
    di(2-ethylhexyl) phthalate 360.66
    ethyl propionate 2056.65
    nitromethane 1103.97
    1,2-diethoxyethane 3287.38
    benzonitrile 995.22
    trioctyl phosphate 323.51
    1-bromopropane 3422.62
    gamma-valerolactone 3594.04
    n-decanol 392.73
    triethyl phosphate 676.47
    4-methyl-2-pentanol 1094.57
    propionitrile 1481.75
    vinylene carbonate 981.68
    1,1,2-trichlorotrifluoroethane 1490.55
    DMS 690.92
    cumene 470.91
    2-octanol 576.11
    2-hexanone 2742.86
    octyl acetate 693.93
    limonene 1170.31
    1,2-dimethoxyethane 3327.84
    ethyl orthosilicate 759.61
    tributyl phosphate 473.92
    diacetone alcohol 1885.44
    N,N-dimethylaniline 628.62
    acrylonitrile 1022.88
    aniline 945.5
    1,3-propanediol 678.94
    bromobenzene 1478.36
    dibromomethane 3170.75
    1,1,2,2-tetrachloroethane 3703.18
    2-methyl-cyclohexyl acetate 1388.61
    tetrabutyl urea 567.49
    diisobutyl methanol 1010.07
    2-phenylethanol 814.72
    styrene 799.74
    dioctyl adipate 807.77
    dimethyl sulfate 373.76
    ethyl butyrate 2739.52
    methyl lactate 395.25
    butyl lactate 944.79
    diethyl carbonate 1169.79
    propanediol butyl ether 722.64
    triethyl orthoformate 1645.19
    p-tert-butyltoluene 533.23
    methyl 4-tert-butylbenzoate 765.97
    morpholine 4125.3
    tert-butylamine 2308.36
    n-dodecanol 297.45
    dimethoxymethane 1435.22
    ethylene carbonate 1103.94
    cyrene 579.1
    2-ethoxyethyl acetate 1575.96
    2-ethylhexyl acetate 2429.48
    1,2,4-trichlorobenzene 1183.56
    4-methylpyridine 2222.55
    dibutyl ether 2395.31
    2,6-dimethyl-4-heptanol 1010.07
    DEF 2439.91
    dimethyl isosorbide 1564.6
    tetrachloroethylene 2284.27
    eugenol 609.88
    triacetin 1064.42
    span 80 827.31
    1,4-butanediol 238.59
    1,1-dichloroethane 3806.17
    2-methyl-1-pentanol 1332.94
    methyl formate 331.66
    2-methyl-1-butanol 1727.31
    n-decane 233.59
    butyronitrile 2335.24
    3,7-dimethyl-1-octanol 886.2
    1-chlorooctane 820.33
    1-chlorotetradecane 248.61
    n-nonane 279.39
    undecane 139.22
    tert-butylcyclohexane 474.12
    cyclooctane 550.2
    cyclopentanol 1965.31
    tetrahydropyran 6269.48
    tert-amyl methyl ether 2328.82
    2,5,8-trioxanonane 1350.35
    1-hexene 3163.46
    2-isopropoxyethanol 1261.35
    2,2,2-trifluoroethanol 131.74
    methyl butyrate 2784.28

    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