2-Heptadecanone

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  • Identifiers

    CAS number
    2922-51-2

    Molecular formula
    C17H34O

    SMILES
    CCCCCCCCCCCCCCCC(=O)C

  • Odor profile

    Fatty 68.59%
    Waxy 65.01%
    Fruity 54.78%
    Oily 53.1%
    Dairy 39.6%
    Floral 37.25%
    Creamy 35.36%
    Orris 32.62%
    Milky 31.55%
    Coconut 30.43%

    Scent© AI

  • Properties

    XLogP3-AA
    7.3

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 48 °C

    Boiling point

    • 318.00 to 320.00 °C. @ 760.00 mm Hg

    Flash point est.
    138.53 ˚C

  • Synonyms

    • Heptadecan-2-one
    • 2-HEPTADECANONE
    • 2922-51-2
    • 2-Heptodecanone
    • Methyl pentadecyl ketone
    • 2-heptadeconone
    • Pentadecyl Methyl Ketone
    • UNII-01M5W012RI
    • 01M5W012RI
    • DTXSID6075061
    • PACOCH3
    • SCHEMBL161232
    • SCHEMBL2803236
    • CHEMBL3273575
    • DTXCID9037955
    • Heptadeca-2-one 2-Heptadecanone
    • CHEBI:188010
    • LMFA12000046
    • MFCD00026615
    • 2-Heptadecanone, >=99.0% (GC)
    • AKOS016009823
    • NS00125522
    • F87271
    • Q27231437

  • Applications

    2-Heptadecanone (heptadecan-2-one, CAS 2922-51-2) is a C17 long-chain, highly hydrophobic ketone with a fatty–waxy odor and very low volatility; these features make it useful as a fragrance component and fixative in perfumes, soaps, and personal care products to impart creamy/waxy facets and extend longevity; as a synthetic intermediate to access long-chain secondary alcohols, oximes/amides, and related derivatives employed in surfactants, lubricants, and polymer additives; as a property-modifying additive in hydrocarbon-based systems (waxes, greases, paraffin) to tune hardness, melting behavior, and lubrication; as an analytical reference/retention-index marker for the long-chain ketone series in GC–MS and as a model hydrophobic carbonyl for studies of lipid-membrane partitioning, surface adsorption, and environmental transport; additionally, long-chain ketones of this type are investigated in chemical ecology as potential semiochemicals/repellents and in olfaction research, with any practical deployment subject to safety assessment and domain-specific regulatory approval.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.26
    methanol 165.41
    isopropanol 428.48
    water 0.01
    ethyl acetate 1386.75
    n-propanol 376.21
    acetone 811.68
    n-butanol 494.61
    acetonitrile 313.18
    DMF 761.58
    toluene 513.82
    isobutanol 416.47
    1,4-dioxane 1232.24
    methyl acetate 683.62
    THF 2594.0
    2-butanone 1110.96
    n-pentanol 348.79
    sec-butanol 505.81
    n-hexane 513.24
    ethylene glycol 11.0
    NMP 1272.8
    cyclohexane 1381.52
    DMSO 827.38
    n-butyl acetate 1677.21
    n-octanol 330.92
    chloroform 2422.62
    n-propyl acetate 1424.32
    acetic acid 210.13
    dichloromethane 2228.88
    cyclohexanone 2630.2
    propylene glycol 47.98
    isopropyl acetate 1279.62
    DMAc 981.76
    2-ethoxyethanol 446.22
    isopentanol 617.31
    n-heptane 543.53
    ethyl formate 445.71
    1,2-dichloroethane 1701.25
    n-hexanol 466.8
    2-methoxyethanol 529.26
    isobutyl acetate 961.67
    tetrachloromethane 681.59
    n-pentyl acetate 1391.5
    transcutol 2406.1
    n-heptanol 313.25
    ethylbenzene 445.99
    MIBK 1063.52
    2-propoxyethanol 669.31
    tert-butanol 769.05
    MTBE 1374.53
    2-butoxyethanol 593.59
    propionic acid 319.64
    o-xylene 455.13
    formic acid 23.05
    diethyl ether 1377.35
    m-xylene 429.6
    p-xylene 620.35
    chlorobenzene 771.04
    dimethyl carbonate 162.72
    n-octane 153.85
    formamide 51.04
    cyclopentanone 2083.63
    2-pentanone 1302.78
    anisole 666.98
    cyclopentyl methyl ether 1891.69
    gamma-butyrolactone 1743.99
    1-methoxy-2-propanol 666.13
    pyridine 1178.6
    3-pentanone 1028.56
    furfural 1076.83
    n-dodecane 66.03
    diethylene glycol 186.92
    diisopropyl ether 691.57
    tert-amyl alcohol 742.02
    acetylacetone 1224.11
    n-hexadecane 83.9
    acetophenone 717.84
    methyl propionate 756.96
    isopentyl acetate 1547.3
    trichloroethylene 2326.96
    n-nonanol 337.74
    cyclohexanol 1031.82
    benzyl alcohol 350.92
    2-ethylhexanol 619.87
    isooctanol 365.86
    dipropyl ether 1849.34
    1,2-dichlorobenzene 865.51
    ethyl lactate 352.66
    propylene carbonate 1063.07
    n-methylformamide 223.32
    2-pentanol 526.09
    n-pentane 267.83
    1-propoxy-2-propanol 897.04
    1-methoxy-2-propyl acetate 1140.35
    2-(2-methoxypropoxy) propanol 540.23
    mesitylene 362.77
    ε-caprolactone 1990.39
    p-cymene 412.12
    epichlorohydrin 1803.64
    1,1,1-trichloroethane 2150.65
    2-aminoethanol 63.3
    morpholine-4-carbaldehyde 1116.34
    sulfolane 2174.18
    2,2,4-trimethylpentane 156.03
    2-methyltetrahydrofuran 2313.11
    n-hexyl acetate 1373.28
    isooctane 123.66
    2-(2-butoxyethoxy)ethanol 747.86
    sec-butyl acetate 1225.96
    tert-butyl acetate 1565.7
    decalin 390.87
    glycerin 70.21
    diglyme 1628.18
    acrylic acid 165.28
    isopropyl myristate 567.27
    n-butyric acid 963.92
    acetyl acetate 699.88
    di(2-ethylhexyl) phthalate 299.12
    ethyl propionate 1244.89
    nitromethane 503.88
    1,2-diethoxyethane 1668.68
    benzonitrile 604.47
    trioctyl phosphate 256.52
    1-bromopropane 1476.31
    gamma-valerolactone 2123.72
    n-decanol 231.28
    triethyl phosphate 600.05
    4-methyl-2-pentanol 381.71
    propionitrile 520.87
    vinylene carbonate 696.41
    1,1,2-trichlorotrifluoroethane 992.02
    DMS 604.51
    cumene 336.84
    2-octanol 320.21
    2-hexanone 1211.3
    octyl acetate 589.42
    limonene 861.61
    1,2-dimethoxyethane 1528.51
    ethyl orthosilicate 634.3
    tributyl phosphate 373.52
    diacetone alcohol 963.21
    N,N-dimethylaniline 496.11
    acrylonitrile 404.54
    aniline 442.42
    1,3-propanediol 170.75
    bromobenzene 960.35
    dibromomethane 1739.82
    1,1,2,2-tetrachloroethane 2556.12
    2-methyl-cyclohexyl acetate 1035.75
    tetrabutyl urea 518.94
    diisobutyl methanol 512.41
    2-phenylethanol 393.05
    styrene 508.29
    dioctyl adipate 716.78
    dimethyl sulfate 329.1
    ethyl butyrate 1658.34
    methyl lactate 217.63
    butyl lactate 691.57
    diethyl carbonate 802.43
    propanediol butyl ether 398.62
    triethyl orthoformate 1185.78
    p-tert-butyltoluene 386.63
    methyl 4-tert-butylbenzoate 710.32
    morpholine 1650.93
    tert-butylamine 652.77
    n-dodecanol 176.21
    dimethoxymethane 633.81
    ethylene carbonate 787.26
    cyrene 454.92
    2-ethoxyethyl acetate 1115.96
    2-ethylhexyl acetate 1345.94
    1,2,4-trichlorobenzene 964.99
    4-methylpyridine 1186.27
    dibutyl ether 1529.54
    2,6-dimethyl-4-heptanol 512.41
    DEF 1402.88
    dimethyl isosorbide 1174.85
    tetrachloroethylene 1613.77
    eugenol 484.96
    triacetin 1026.92
    span 80 595.35
    1,4-butanediol 64.84
    1,1-dichloroethane 1702.25
    2-methyl-1-pentanol 422.65
    methyl formate 151.78
    2-methyl-1-butanol 519.2
    n-decane 166.25
    butyronitrile 762.69
    3,7-dimethyl-1-octanol 468.24
    1-chlorooctane 581.26
    1-chlorotetradecane 189.15
    n-nonane 182.4
    undecane 95.89
    tert-butylcyclohexane 297.46
    cyclooctane 367.85
    cyclopentanol 843.88
    tetrahydropyran 2649.36
    tert-amyl methyl ether 1139.65
    2,5,8-trioxanonane 954.51
    1-hexene 878.97
    2-isopropoxyethanol 489.27
    2,2,2-trifluoroethanol 81.6
    methyl butyrate 1630.14

    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
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.3%
Passion fruit (China) 1 Passiflora edulis Sims, fam. Passifloraceae 5.95%
Zingiber zerumbet (Vietnam) 2a stem Zingiber zerumbet (L.) Sm., fam. Zingiberaceae 0.8%
Zingiber zerumbet (Vietnam) 2b leaf Zingiber zerumbet (L.) Sm., fam. Zingiberaceae 0.9%
Curcuma pierreana (Vietnam), 1a rhizome Curcuma pierreana Gagnep., fam. Zingiberaceae 0.5%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.01%
Yarrow (Cuba) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.2%
Mango (India) 1a cv. Langra 90063-86-8 Mangifera indica L. cv. Langra, fam. Anacardiaceae 0.5%
Lantana camara (India) 1b flower 90046-17-6 Lantana camara L., fam. Verbenaceae 0.1%
Yarrow (India) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.1%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 0.4%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.1%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%