12-Hydroxy-12-methyltridecanal

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  • Identifiers

    CAS number
    95678-08-3

    Molecular formula
    C14H28O2

    SMILES
    CC(C)(CCCCCCCCCCC=O)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 72.95%
    Waxy 63.18%
    Fresh 59.5%
    Citrus 56.36%
    Sweet 54.24%
    Rose 46.63%
    Fatty 43.33%
    Aldehydic 42.3%
    Clean 41.7%
    Lily 40.67%

     

    Flavor
    Waxy 77.02%
    Floral 75.57%
    Green 64.15%
    Citrus 54.0%
    Fresh 51.82%
    Rose 51.29%
    Sweet 46.0%
    Clean 45.5%
    Orange 44.41%
    Aldehydic 42.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.01 (weak base)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 143.15 ˚C est.

  • Synonyms

    • 12-HYDROXY-12-METHYLTRIDECANAL
    • 95678-08-3
    • DTXSID00556113
    • RefChem:236389
    • DTXCID60506896
    • 95678-08-3

  • Applications

    12-Hydroxy-12-methyltridecanal (CAS 95678-08-3) is primarily used as a fragrance ingredient and odorant in perfumery, where its long hydrophobic chain can contribute to base-note profiles and act as a subtle fixative; it is commonly evaluated as a synthetic intermediate for cosmetic ingredient synthesis and other fragrance compounds; it also sees use in household products and cleaners as a scent component; in industrial manufacturing it serves as a precursor for the production of specialty fragrance materials and related derivatives; in coatings and inks it may be used as an odorant additive to impart or stabilize fragrance in finished products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 730.99
    methanol 695.69
    isopropanol 715.55
    water 0.05
    ethyl acetate 514.17
    n-propanol 612.48
    acetone 569.93
    n-butanol 604.07
    acetonitrile 194.51
    DMF 423.95
    toluene 164.89
    isobutanol 496.96
    1,4-dioxane 654.43
    methyl acetate 292.57
    THF 1652.32
    2-butanone 509.42
    n-pentanol 468.49
    sec-butanol 553.03
    n-hexane 295.71
    ethylene glycol 43.13
    NMP 440.13
    cyclohexane 266.29
    DMSO 646.54
    n-butyl acetate 620.62
    n-octanol 234.3
    chloroform 819.08
    n-propyl acetate 547.14
    acetic acid 243.12
    dichloromethane 610.92
    cyclohexanone 822.25
    propylene glycol 145.77
    isopropyl acetate 488.99
    DMAc 435.69
    2-ethoxyethanol 517.81
    isopentanol 594.6
    n-heptane 162.3
    ethyl formate 224.21
    1,2-dichloroethane 482.12
    n-hexanol 550.85
    2-methoxyethanol 649.63
    isobutyl acetate 423.96
    tetrachloromethane 174.64
    n-pentyl acetate 384.15
    transcutol 1667.85
    n-heptanol 234.79
    ethylbenzene 148.81
    MIBK 476.04
    2-propoxyethanol 727.42
    tert-butanol 923.57
    MTBE 806.66
    2-butoxyethanol 435.5
    propionic acid 285.12
    o-xylene 145.26
    formic acid 53.48
    diethyl ether 697.86
    m-xylene 161.26
    p-xylene 186.07
    chlorobenzene 209.84
    dimethyl carbonate 74.44
    n-octane 50.3
    formamide 65.21
    cyclopentanone 771.73
    2-pentanone 575.23
    anisole 256.49
    cyclopentyl methyl ether 792.07
    gamma-butyrolactone 667.45
    1-methoxy-2-propanol 674.07
    pyridine 377.52
    3-pentanone 364.06
    furfural 427.52
    n-dodecane 24.8
    diethylene glycol 320.58
    diisopropyl ether 286.93
    tert-amyl alcohol 666.7
    acetylacetone 461.05
    n-hexadecane 29.65
    acetophenone 250.17
    methyl propionate 322.64
    isopentyl acetate 598.23
    trichloroethylene 694.83
    n-nonanol 213.85
    cyclohexanol 622.58
    benzyl alcohol 197.13
    2-ethylhexanol 396.2
    isooctanol 230.9
    dipropyl ether 659.21
    1,2-dichlorobenzene 219.37
    ethyl lactate 209.01
    propylene carbonate 422.5
    n-methylformamide 183.63
    2-pentanol 487.85
    n-pentane 134.41
    1-propoxy-2-propanol 689.41
    1-methoxy-2-propyl acetate 536.55
    2-(2-methoxypropoxy) propanol 371.13
    mesitylene 133.74
    ε-caprolactone 696.18
    p-cymene 130.97
    epichlorohydrin 732.74
    1,1,1-trichloroethane 538.2
    2-aminoethanol 182.76
    morpholine-4-carbaldehyde 537.69
    sulfolane 828.6
    2,2,4-trimethylpentane 69.89
    2-methyltetrahydrofuran 1067.3
    n-hexyl acetate 479.72
    isooctane 61.76
    2-(2-butoxyethoxy)ethanol 542.59
    sec-butyl acetate 451.55
    tert-butyl acetate 597.64
    decalin 112.52
    glycerin 167.21
    diglyme 933.65
    acrylic acid 147.64
    isopropyl myristate 192.23
    n-butyric acid 640.69
    acetyl acetate 245.71
    di(2-ethylhexyl) phthalate 145.04
    ethyl propionate 421.68
    nitromethane 297.89
    1,2-diethoxyethane 686.73
    benzonitrile 231.59
    trioctyl phosphate 123.75
    1-bromopropane 489.7
    gamma-valerolactone 876.64
    n-decanol 150.22
    triethyl phosphate 202.04
    4-methyl-2-pentanol 339.81
    propionitrile 286.36
    vinylene carbonate 286.32
    1,1,2-trichlorotrifluoroethane 491.5
    DMS 219.17
    cumene 128.22
    2-octanol 177.51
    2-hexanone 566.66
    octyl acetate 213.91
    limonene 248.25
    1,2-dimethoxyethane 932.8
    ethyl orthosilicate 223.05
    tributyl phosphate 167.51
    diacetone alcohol 538.75
    N,N-dimethylaniline 192.25
    acrylonitrile 215.46
    aniline 198.98
    1,3-propanediol 328.69
    bromobenzene 225.82
    dibromomethane 503.35
    1,1,2,2-tetrachloroethane 761.45
    2-methyl-cyclohexyl acetate 400.68
    tetrabutyl urea 200.9
    diisobutyl methanol 255.18
    2-phenylethanol 237.23
    styrene 158.85
    dioctyl adipate 258.59
    dimethyl sulfate 139.52
    ethyl butyrate 499.55
    methyl lactate 169.31
    butyl lactate 312.14
    diethyl carbonate 248.71
    propanediol butyl ether 376.75
    triethyl orthoformate 367.15
    p-tert-butyltoluene 133.83
    methyl 4-tert-butylbenzoate 278.79
    morpholine 955.41
    tert-butylamine 629.86
    n-dodecanol 109.95
    dimethoxymethane 396.75
    ethylene carbonate 307.47
    cyrene 272.19
    2-ethoxyethyl acetate 386.59
    2-ethylhexyl acetate 482.72
    1,2,4-trichlorobenzene 260.78
    4-methylpyridine 375.42
    dibutyl ether 507.03
    2,6-dimethyl-4-heptanol 255.18
    DEF 502.51
    dimethyl isosorbide 580.21
    tetrachloroethylene 494.81
    eugenol 244.54
    triacetin 390.55
    span 80 359.23
    1,4-butanediol 131.02
    1,1-dichloroethane 545.42
    2-methyl-1-pentanol 400.2
    methyl formate 110.99
    2-methyl-1-butanol 474.15
    n-decane 59.67
    butyronitrile 426.42
    3,7-dimethyl-1-octanol 284.3
    1-chlorooctane 203.02
    1-chlorotetradecane 67.07
    n-nonane 65.38
    undecane 36.4
    tert-butylcyclohexane 114.16
    cyclooctane 79.3
    cyclopentanol 565.35
    tetrahydropyran 1147.32
    tert-amyl methyl ether 564.77
    2,5,8-trioxanonane 584.46
    1-hexene 589.08
    2-isopropoxyethanol 469.21
    2,2,2-trifluoroethanol 66.12
    methyl butyrate 553.71

    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