2-Pentadecanone

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  • Identifiers

    CAS number
    2345-28-0

    Molecular formula
    C15H30O

    SMILES
    CCCCCCCCCCCCCC(=O)C

    Retention indicies (RI)

    • DB5: 1696.5
    • Carbowax: 1995.0

  • Odor profile

    Fatty 69.52%
    Fruity 64.74%
    Waxy 63.95%
    Oily 52.81%
    Floral 49.04%
    Dairy 43.47%
    Creamy 38.13%
    Fresh 36.13%
    Orris 35.2%
    Coconut 34.95%

    Scent© AI

  • Properties

    XLogP3-AA
    6.3

    Molecular weight
    226.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 39 °C

    Boiling point

    • 293.00 to 294.00 °C. @ 760.00 mm Hg

    Flash point est.
    122.25 ˚C

    Solubility expt.

    • soluble in alcohol, propylene glycol and oils; insoluble in water

  • Synonyms

    • 2-PENTADECANONE
    • Pentadecan-2-one
    • 2345-28-0
    • Methyl tridecyl ketone
    • Pentadecanone
    • MFCD00053712
    • UNII-B2Q48J997N
    • FEMA No. 3724
    • EINECS 219-064-8
    • AI3-11706
    • 2-PENTADECANONE [FHFI]
    • DTXSID6062333
    • CHEBI:89254
    • B2Q48J997N
    • 2-Pentandecanone
    • SCHEMBL336157
    • 2-Pentadecanone, >=98.5%
    • CHEMBL3273567
    • DTXCID8036869
    • FEMA 3724
    • 2-Pentadecanone, >=98%, FG
    • 2-Pentadecanone, analytical standard
    • LMFA12000056
    • AKOS009157795
    • AS-56748
    • SY049907
    • CS-0187603
    • NS00021893
    • D92066
    • Q27161440
    • SSV

  • Applications

    2-Pentadecanone (CAS 2345-28-0) is a long-chain aliphatic ketone with a faint sweet-fatty odor that finds broad utility: in flavors and fragrances it lends a warm, creamy, white-floral base note to perfumes, scented candles, and food seasonings; in agriculture and bioscience it serves as a semi-synthetic component or mimic of ant and Drosophila pheromones for insect behavior studies, pest monitoring lures, and exhibits inherent mosquito-repellent activity; in materials and pharmaceuticals it is exploited as an intermediate for surfactants, ketone-based lubricants, functionalized fatty-acid derivatives, and precursors to antimicrobial and antimold agents; additionally, its high boiling point and stability make it a reliable GC-MS internal standard for quantifying long-chain hydrophobic compounds in petroleum, cosmetic, and environmental samples.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 809.32
    methanol 504.31
    isopropanol 1185.68
    water 0.01
    ethyl acetate 2372.61
    n-propanol 1015.27
    acetone 1955.49
    n-butanol 1211.48
    acetonitrile 721.65
    DMF 1292.02
    toluene 910.14
    isobutanol 978.94
    1,4-dioxane 2284.52
    methyl acetate 1238.8
    THF 4431.88
    2-butanone 2151.72
    n-pentanol 853.81
    sec-butanol 1222.37
    n-hexane 1337.49
    ethylene glycol 30.4
    NMP 1616.4
    cyclohexane 2206.54
    DMSO 1441.65
    n-butyl acetate 2689.02
    n-octanol 577.34
    chloroform 3746.59
    n-propyl acetate 2208.07
    acetic acid 411.42
    dichloromethane 3332.83
    cyclohexanone 4059.85
    propylene glycol 122.14
    isopropyl acetate 2048.18
    DMAc 1335.06
    2-ethoxyethanol 892.52
    isopentanol 1310.73
    n-heptane 950.4
    ethyl formate 769.57
    1,2-dichloroethane 2595.62
    n-hexanol 1083.68
    2-methoxyethanol 1112.64
    isobutyl acetate 1415.58
    tetrachloromethane 931.6
    n-pentyl acetate 1808.91
    transcutol 3876.62
    n-heptanol 563.36
    ethylbenzene 715.12
    MIBK 1677.12
    2-propoxyethanol 1333.44
    tert-butanol 1830.23
    MTBE 2875.76
    2-butoxyethanol 964.17
    propionic acid 629.46
    o-xylene 693.39
    formic acid 45.39
    diethyl ether 3001.24
    m-xylene 688.3
    p-xylene 930.44
    chlorobenzene 1158.43
    dimethyl carbonate 235.0
    n-octane 253.23
    formamide 89.37
    cyclopentanone 2988.17
    2-pentanone 2381.43
    anisole 994.28
    cyclopentyl methyl ether 3108.55
    gamma-butyrolactone 2374.26
    1-methoxy-2-propanol 1323.48
    pyridine 2025.8
    3-pentanone 1684.02
    furfural 1521.55
    n-dodecane 105.47
    diethylene glycol 390.84
    diisopropyl ether 1201.01
    tert-amyl alcohol 1556.95
    acetylacetone 1852.92
    n-hexadecane 133.75
    acetophenone 962.1
    methyl propionate 1235.08
    isopentyl acetate 2436.68
    trichloroethylene 3388.95
    n-nonanol 558.0
    cyclohexanol 1930.66
    benzyl alcohol 583.03
    2-ethylhexanol 1178.86
    isooctanol 608.74
    dipropyl ether 3177.15
    1,2-dichlorobenzene 1172.0
    ethyl lactate 513.43
    propylene carbonate 1415.25
    n-methylformamide 415.43
    2-pentanol 1190.32
    n-pentane 641.25
    1-propoxy-2-propanol 1656.65
    1-methoxy-2-propyl acetate 1669.1
    2-(2-methoxypropoxy) propanol 787.37
    mesitylene 545.78
    ε-caprolactone 2886.18
    p-cymene 575.12
    epichlorohydrin 2659.43
    1,1,1-trichloroethane 3034.97
    2-aminoethanol 159.16
    morpholine-4-carbaldehyde 1613.63
    sulfolane 2697.01
    2,2,4-trimethylpentane 257.38
    2-methyltetrahydrofuran 4060.94
    n-hexyl acetate 1920.61
    isooctane 216.13
    2-(2-butoxyethoxy)ethanol 1129.07
    sec-butyl acetate 1837.28
    tert-butyl acetate 2284.63
    decalin 605.57
    glycerin 147.06
    diglyme 2300.98
    acrylic acid 302.98
    isopropyl myristate 756.85
    n-butyric acid 1756.11
    acetyl acetate 1029.68
    di(2-ethylhexyl) phthalate 404.91
    ethyl propionate 1859.65
    nitromethane 866.02
    1,2-diethoxyethane 2714.35
    benzonitrile 971.95
    trioctyl phosphate 345.43
    1-bromopropane 2619.36
    gamma-valerolactone 3087.14
    n-decanol 379.64
    triethyl phosphate 736.48
    4-methyl-2-pentanol 734.41
    propionitrile 1128.39
    vinylene carbonate 926.94
    1,1,2-trichlorotrifluoroethane 1446.43
    DMS 807.88
    cumene 511.83
    2-octanol 543.13
    2-hexanone 2075.28
    octyl acetate 785.89
    limonene 1193.72
    1,2-dimethoxyethane 2657.47
    ethyl orthosilicate 796.58
    tributyl phosphate 501.81
    diacetone alcohol 1471.0
    N,N-dimethylaniline 696.87
    acrylonitrile 845.02
    aniline 796.56
    1,3-propanediol 395.05
    bromobenzene 1423.55
    dibromomethane 2786.48
    1,1,2,2-tetrachloroethane 3597.74
    2-methyl-cyclohexyl acetate 1351.3
    tetrabutyl urea 675.93
    diisobutyl methanol 843.43
    2-phenylethanol 650.85
    styrene 842.1
    dioctyl adipate 933.67
    dimethyl sulfate 412.05
    ethyl butyrate 2355.09
    methyl lactate 340.41
    butyl lactate 942.18
    diethyl carbonate 1105.87
    propanediol butyl ether 649.08
    triethyl orthoformate 1568.58
    p-tert-butyltoluene 552.62
    methyl 4-tert-butylbenzoate 867.12
    morpholine 3201.47
    tert-butylamine 1475.84
    n-dodecanol 291.13
    dimethoxymethane 1059.27
    ethylene carbonate 1092.66
    cyrene 583.29
    2-ethoxyethyl acetate 1498.62
    2-ethylhexyl acetate 2032.16
    1,2,4-trichlorobenzene 1279.9
    4-methylpyridine 2002.34
    dibutyl ether 2413.28
    2,6-dimethyl-4-heptanol 843.43
    DEF 2217.81
    dimethyl isosorbide 1468.28
    tetrachloroethylene 2263.16
    eugenol 631.89
    triacetin 1261.09
    span 80 863.73
    1,4-butanediol 146.99
    1,1-dichloroethane 2861.74
    2-methyl-1-pentanol 874.33
    methyl formate 259.01
    2-methyl-1-butanol 1111.29
    n-decane 265.0
    butyronitrile 1547.6
    3,7-dimethyl-1-octanol 802.43
    1-chlorooctane 857.25
    1-chlorotetradecane 280.36
    n-nonane 304.91
    undecane 155.15
    tert-butylcyclohexane 488.43
    cyclooctane 579.99
    cyclopentanol 1569.35
    tetrahydropyran 5110.81
    tert-amyl methyl ether 2042.94
    2,5,8-trioxanonane 1307.87
    1-hexene 2283.54
    2-isopropoxyethanol 914.7
    2,2,2-trifluoroethanol 121.46
    methyl butyrate 2446.0

    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
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.25%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.31%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.02%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.01%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.03%
Rosa rugosa (China) 2 Rosa rugosa Thunb., fam. Rosaceae 1.22%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.5%
Passion fruit shell Passiflora edulis Sims, fam. Passifloraceae 6.2%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 0.3%
Cochlospermum tinctorium tubercle Cochlospermum tinctorium (Hook.), fam. Bixaceae (Cochlospermaceae) 0.6%
Dialium guineense fruit Dialium guineense Wild., fam. Cesalpinaceae 0.3%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.1%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.1%
Pistacia lentiscus (Italy) 1a CO2-extract 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.21%
Pistacia lentiscus (Italy) 3a CO2 extract leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.21%
Pistacia lentiscus (Italy) 3b hydrodist. leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.15%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 0.3%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.01%
Philodendron acutatum root Philodendron acutatum Schott, fam. Araceae 2.85%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.03%