Dodecan-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1534-27-6

    Molecular formula
    C12H24O

    SMILES
    CCCCCCCCCC(=O)CC

    Retention indicies (RI)

    • DB5: 1386.0

  • Odor profile

    Fatty 71.49%
    Fruity 68.6%
    Waxy 68.42%
    Floral 66.66%
    Citrus 52.55%
    Orange 52.04%
    Oily 50.02%
    Fresh 47.69%
    Sweet 44.39%
    Green 42.18%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point est.
    93.32 ˚C

  • Synonyms

    • 3-DODECANONE
    • Dodecan-3-one
    • 1534-27-6
    • Ethyl nonyl ketone
    • Dodecanone-(3)
    • EINECS 216-254-2
    • DTXSID00165320
    • NSC 158522
    • Dodecan3one
    • Ethyl nnonyl ketone
    • NSC158522
    • 3-Dodecanone, AldrichCPR
    • SCHEMBL811181
    • DTXCID5087811
    • LMFA12000164
    • MFCD00015304
    • AKOS009158629
    • NSC-158522
    • AS-85818
    • NS00048901
    • Q63398583
    • 216-254-2

  • Applications

    Dodecan-3-one (3-dodecanone) is a linear C12 aliphatic ketone with a high boiling point and hydrophobic character, used mainly as a synthetic intermediate and analytical reference; in organic synthesis it serves as a convenient carbonyl scaffold to make tertiary alcohols (via Grignard addition), oximes/hydrazones and α,β-unsaturated ketones (via aldol condensation), which in turn are precursors to surfactants, lubricant additives, plasticizers, polymer auxiliaries, dyes and other fine chemicals; it is also converted to ketals/thioketals for carbonyl protection; owing to moderate polarity and low volatility, 3-dodecanone is chosen as a high-boiling process solvent for hydrophobic substrates or as a specialized extractant/diluent in research; in analytical chemistry it is used as a standard/internal standard and as a GC-MS retention index marker when optimizing and validating methods for mid-chain ketones in food, fragrance and environmental matrices; in fragrance work, the molecule is sometimes explored at trace levels to impart fatty, waxy, creamy, slightly green–fruity nuances and to modulate marine/ozonic or dairy facets, with use contingent on local regulations and safety assessment; in academia it serves as a model compound to study carbonyl reaction kinetics, phase partitioning, adsorption and biodegradation of hydrophobic mid-chain ketones, and as a starting point for generating oxime ligands in coordination chemistry.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10198.42
    methanol 7442.78
    isopropanol 11669.99
    water 0.07
    ethyl acetate 13467.36
    n-propanol 9825.23
    acetone 18066.02
    n-butanol 9132.36
    acetonitrile 10019.54
    DMF 6905.58
    toluene 4001.7
    isobutanol 7495.1
    1,4-dioxane 11061.62
    methyl acetate 7909.32
    THF 13856.39
    2-butanone 12930.04
    n-pentanol 6068.55
    sec-butanol 9611.24
    n-hexane 6754.27
    ethylene glycol 335.6
    NMP 4295.16
    cyclohexane 6073.12
    DMSO 7150.44
    n-butyl acetate 12636.99
    n-octanol 2748.74
    chloroform 15942.85
    n-propyl acetate 10232.43
    acetic acid 3496.19
    dichloromethane 14523.17
    cyclohexanone 15814.0
    propylene glycol 932.55
    isopropyl acetate 8738.17
    DMAc 4240.97
    2-ethoxyethanol 4852.01
    isopentanol 8360.23
    n-heptane 2647.53
    ethyl formate 4877.49
    1,2-dichloroethane 10616.37
    n-hexanol 6582.44
    2-methoxyethanol 6933.17
    isobutyl acetate 4986.11
    tetrachloromethane 3318.39
    n-pentyl acetate 6335.95
    transcutol 15332.12
    n-heptanol 2615.63
    ethylbenzene 2575.45
    MIBK 5987.83
    2-propoxyethanol 6775.59
    tert-butanol 12363.99
    MTBE 15617.63
    2-butoxyethanol 3772.03
    propionic acid 4192.56
    o-xylene 2096.7
    formic acid 436.37
    diethyl ether 18808.83
    m-xylene 2224.01
    p-xylene 3157.49
    chlorobenzene 4932.77
    dimethyl carbonate 952.24
    n-octane 804.56
    formamide 838.19
    cyclopentanone 10304.34
    2-pentanone 12519.52
    anisole 3637.47
    cyclopentyl methyl ether 9336.32
    gamma-butyrolactone 8100.17
    1-methoxy-2-propanol 6001.5
    pyridine 10828.5
    3-pentanone 6860.47
    furfural 5224.5
    n-dodecane 317.27
    diethylene glycol 2140.81
    diisopropyl ether 4872.71
    tert-amyl alcohol 9293.08
    acetylacetone 7317.7
    n-hexadecane 388.32
    acetophenone 3047.85
    methyl propionate 5791.11
    isopentyl acetate 9466.05
    trichloroethylene 14335.27
    n-nonanol 2239.2
    cyclohexanol 8471.51
    benzyl alcohol 2395.6
    2-ethylhexanol 5118.69
    isooctanol 2387.42
    dipropyl ether 10498.42
    1,2-dichlorobenzene 3819.51
    ethyl lactate 1651.81
    propylene carbonate 4446.51
    n-methylformamide 3314.81
    2-pentanol 7467.04
    n-pentane 3119.01
    1-propoxy-2-propanol 6692.25
    1-methoxy-2-propyl acetate 5677.4
    2-(2-methoxypropoxy) propanol 2270.69
    mesitylene 1513.88
    ε-caprolactone 10675.24
    p-cymene 1560.78
    epichlorohydrin 9540.12
    1,1,1-trichloroethane 11461.7
    2-aminoethanol 1437.57
    morpholine-4-carbaldehyde 5549.95
    sulfolane 6601.85
    2,2,4-trimethylpentane 818.35
    2-methyltetrahydrofuran 15672.47
    n-hexyl acetate 6603.99
    isooctane 737.5
    2-(2-butoxyethoxy)ethanol 3679.63
    sec-butyl acetate 6354.48
    tert-butyl acetate 7590.11
    decalin 1593.14
    glycerin 888.14
    diglyme 7336.89
    acrylic acid 2100.39
    isopropyl myristate 1855.35
    n-butyric acid 9954.28
    acetyl acetate 4285.05
    di(2-ethylhexyl) phthalate 1066.05
    ethyl propionate 7074.73
    nitromethane 6286.35
    1,2-diethoxyethane 11221.09
    benzonitrile 4741.7
    trioctyl phosphate 914.77
    1-bromopropane 11504.89
    gamma-valerolactone 11371.59
    n-decanol 1383.29
    triethyl phosphate 1590.68
    4-methyl-2-pentanol 3362.77
    propionitrile 9243.31
    vinylene carbonate 3504.54
    1,1,2-trichlorotrifluoroethane 4754.53
    DMS 2455.42
    cumene 1516.62
    2-octanol 2306.86
    2-hexanone 9493.68
    octyl acetate 2042.7
    limonene 3194.2
    1,2-dimethoxyethane 12155.72
    ethyl orthosilicate 1787.29
    tributyl phosphate 1349.6
    diacetone alcohol 4790.99
    N,N-dimethylaniline 2058.42
    acrylonitrile 6878.95
    aniline 4046.92
    1,3-propanediol 3113.14
    bromobenzene 5632.56
    dibromomethane 12360.7
    1,1,2,2-tetrachloroethane 12086.5
    2-methyl-cyclohexyl acetate 3309.16
    tetrabutyl urea 1620.56
    diisobutyl methanol 2594.53
    2-phenylethanol 2648.52
    styrene 3695.75
    dioctyl adipate 2184.59
    dimethyl sulfate 1246.02
    ethyl butyrate 7739.54
    methyl lactate 1295.99
    butyl lactate 2934.89
    diethyl carbonate 3332.37
    propanediol butyl ether 2500.17
    triethyl orthoformate 4159.84
    p-tert-butyltoluene 1422.65
    methyl 4-tert-butylbenzoate 1900.55
    morpholine 15679.36
    tert-butylamine 9435.97
    n-dodecanol 976.44
    dimethoxymethane 4810.55
    ethylene carbonate 3994.16
    cyrene 1342.04
    2-ethoxyethyl acetate 5245.88
    2-ethylhexyl acetate 7182.57
    1,2,4-trichlorobenzene 3850.91
    4-methylpyridine 10608.54
    dibutyl ether 8731.28
    2,6-dimethyl-4-heptanol 2594.53
    DEF 9836.77
    dimethyl isosorbide 3278.23
    tetrachloroethylene 8258.88
    eugenol 1744.45
    triacetin 3016.78
    span 80 2408.38
    1,4-butanediol 1072.8
    1,1-dichloroethane 13595.04
    2-methyl-1-pentanol 5183.57
    methyl formate 1831.64
    2-methyl-1-butanol 7182.43
    n-decane 788.5
    butyronitrile 11957.91
    3,7-dimethyl-1-octanol 3004.75
    1-chlorooctane 2717.89
    1-chlorotetradecane 744.18
    n-nonane 954.9
    undecane 463.81
    tert-butylcyclohexane 1473.9
    cyclooctane 1444.32
    cyclopentanol 6674.75
    tetrahydropyran 21760.06
    tert-amyl methyl ether 8378.18
    2,5,8-trioxanonane 3562.95
    1-hexene 14759.46
    2-isopropoxyethanol 4150.72
    2,2,2-trifluoroethanol 703.27
    methyl butyrate 10598.7

    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

Botanical

Name CAS Botanical Proportion
Mentha x gentilis Mentha x gentilis L. (arvensis x spicata), fam. Lamiaceae (Labiatae) 13.0%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%