2-Pentadecenal

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  • Identifiers

    CAS number
    64462-00-6

    Molecular formula
    C15H28O

    SMILES
    CCCCCCCCCCCC/C=C/C=O

  • Odor profile

    Fatty 80.76%
    Citrus 73.26%
    Waxy 71.91%
    Fruity 60.08%
    Aldehydic 58.06%
    Orange 55.52%
    Green 53.98%
    Floral 45.09%
    Fresh 44.79%
    Fruit skin 43.68%

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  • Properties

    XLogP3-AA
    6.4

    pKa est.
    6.98 (neutral)

    Molecular weight
    224.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point est.
    140.0 ˚C

  • Synonyms

    • 2-Pentadecenal
    • (E)-2-pentadecenal
    • 2-Pentadecenal, (E)-
    • 2-Pentadecenal, (2E)-
    • 97C41TO73O
    • UNII-97C41TO73O
    • 96360-08-6
    • 64462-00-6
    • (E)-pentadec-2-enal
    • Pentadecenal
    • SCHEMBL1372456
    • SCHEMBL1782575
    • Q27272002

  • Applications

    2-Pentadecenal (CAS 64462-00-6) is a long-chain unsaturated aldehyde applied broadly: (1) in flavor and fragrance development to impart fatty-green, waxy, slightly citrus and marine notes to perfumes, soaps, detergents and, where permitted, certain flavored food formulations at trace levels; (2) as a semiochemical/pheromonal component in lures for insect behavioral research and ecologically based pest monitoring and management; (3) as an analytical reference in GC/GC-MS/LC-MS to quantify unsaturated aldehydes and to study lipid oxidation, off-flavor formation and flavor stability; (4) as a versatile synthetic building block, with its alpha,beta-unsaturated aldehyde enabling Michael addition, aldol chemistry, reductions or oxidations to alcohols/acids, and imine (Schiff base) formation toward higher-value pharmaceutical and agrochemical intermediates; (5) for surface or biopolymer functionalization via Schiff-base coupling in sensors, antimicrobial materials and bioconjugation/immobilization; (6) as a model electrophile in biochemical studies to probe glutathione/protein adduction, aldehyde dehydrogenase activity and cellular detoxification pathways.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 346.73
    methanol 173.91
    isopropanol 444.63
    water 0.0
    ethyl acetate 993.5
    n-propanol 403.05
    acetone 912.48
    n-butanol 494.05
    acetonitrile 244.93
    DMF 599.42
    toluene 421.38
    isobutanol 365.54
    1,4-dioxane 905.52
    methyl acetate 476.44
    THF 2390.96
    2-butanone 983.38
    n-pentanol 371.83
    sec-butanol 451.47
    n-hexane 429.7
    ethylene glycol 11.24
    NMP 788.95
    cyclohexane 859.41
    DMSO 961.71
    n-butyl acetate 1296.7
    n-octanol 205.74
    chloroform 1515.72
    n-propyl acetate 981.83
    acetic acid 158.95
    dichloromethane 1654.51
    cyclohexanone 1778.14
    propylene glycol 45.39
    isopropyl acetate 824.19
    DMAc 572.57
    2-ethoxyethanol 404.34
    isopentanol 544.98
    n-heptane 364.63
    ethyl formate 302.2
    1,2-dichloroethane 1595.96
    n-hexanol 504.41
    2-methoxyethanol 465.25
    isobutyl acetate 625.32
    tetrachloromethane 389.49
    n-pentyl acetate 767.0
    transcutol 2018.99
    n-heptanol 218.43
    ethylbenzene 300.53
    MIBK 817.35
    2-propoxyethanol 662.59
    tert-butanol 698.12
    MTBE 1101.79
    2-butoxyethanol 416.43
    propionic acid 221.79
    o-xylene 299.58
    formic acid 16.26
    diethyl ether 1299.26
    m-xylene 325.95
    p-xylene 359.47
    chlorobenzene 563.54
    dimethyl carbonate 112.55
    n-octane 94.09
    formamide 38.83
    cyclopentanone 1604.0
    2-pentanone 1227.94
    anisole 460.98
    cyclopentyl methyl ether 1478.73
    gamma-butyrolactone 1224.13
    1-methoxy-2-propanol 594.22
    pyridine 947.86
    3-pentanone 741.93
    furfural 747.88
    n-dodecane 38.4
    diethylene glycol 179.95
    diisopropyl ether 511.8
    tert-amyl alcohol 574.35
    acetylacetone 902.23
    n-hexadecane 47.91
    acetophenone 459.76
    methyl propionate 574.3
    isopentyl acetate 1081.76
    trichloroethylene 2010.78
    n-nonanol 204.28
    cyclohexanol 716.84
    benzyl alcohol 268.4
    2-ethylhexanol 488.37
    isooctanol 251.33
    dipropyl ether 1402.44
    1,2-dichlorobenzene 586.75
    ethyl lactate 228.88
    propylene carbonate 659.35
    n-methylformamide 176.71
    2-pentanol 479.24
    n-pentane 262.6
    1-propoxy-2-propanol 784.35
    1-methoxy-2-propyl acetate 826.9
    2-(2-methoxypropoxy) propanol 367.5
    mesitylene 265.3
    ε-caprolactone 1221.72
    p-cymene 250.56
    epichlorohydrin 1641.9
    1,1,1-trichloroethane 1483.75
    2-aminoethanol 62.37
    morpholine-4-carbaldehyde 726.89
    sulfolane 1573.29
    2,2,4-trimethylpentane 105.95
    2-methyltetrahydrofuran 1938.28
    n-hexyl acetate 763.41
    isooctane 96.37
    2-(2-butoxyethoxy)ethanol 523.49
    sec-butyl acetate 746.56
    tert-butyl acetate 968.31
    decalin 216.29
    glycerin 57.2
    diglyme 1123.65
    acrylic acid 115.28
    isopropyl myristate 304.26
    n-butyric acid 669.18
    acetyl acetate 406.04
    di(2-ethylhexyl) phthalate 171.09
    ethyl propionate 786.64
    nitromethane 361.97
    1,2-diethoxyethane 1352.17
    benzonitrile 410.05
    trioctyl phosphate 144.83
    1-bromopropane 1383.66
    gamma-valerolactone 1508.35
    n-decanol 146.18
    triethyl phosphate 324.42
    4-methyl-2-pentanol 315.71
    propionitrile 398.65
    vinylene carbonate 414.36
    1,1,2-trichlorotrifluoroethane 682.8
    DMS 340.53
    cumene 213.48
    2-octanol 195.25
    2-hexanone 960.04
    octyl acetate 315.23
    limonene 508.1
    1,2-dimethoxyethane 1150.39
    ethyl orthosilicate 354.88
    tributyl phosphate 209.82
    diacetone alcohol 711.71
    N,N-dimethylaniline 320.16
    acrylonitrile 312.2
    aniline 341.11
    1,3-propanediol 153.4
    bromobenzene 706.48
    dibromomethane 1319.76
    1,1,2,2-tetrachloroethane 1919.69
    2-methyl-cyclohexyl acetate 632.81
    tetrabutyl urea 279.87
    diisobutyl methanol 380.55
    2-phenylethanol 330.17
    styrene 366.77
    dioctyl adipate 384.3
    dimethyl sulfate 211.57
    ethyl butyrate 1036.0
    methyl lactate 145.07
    butyl lactate 382.46
    diethyl carbonate 469.22
    propanediol butyl ether 264.3
    triethyl orthoformate 657.49
    p-tert-butyltoluene 241.1
    methyl 4-tert-butylbenzoate 398.35
    morpholine 1400.53
    tert-butylamine 562.24
    n-dodecanol 113.12
    dimethoxymethane 577.06
    ethylene carbonate 420.91
    cyrene 310.85
    2-ethoxyethyl acetate 712.15
    2-ethylhexyl acetate 911.45
    1,2,4-trichlorobenzene 626.24
    4-methylpyridine 908.49
    dibutyl ether 935.79
    2,6-dimethyl-4-heptanol 380.55
    DEF 986.22
    dimethyl isosorbide 803.22
    tetrachloroethylene 1129.47
    eugenol 305.91
    triacetin 516.47
    span 80 356.11
    1,4-butanediol 58.99
    1,1-dichloroethane 1423.38
    2-methyl-1-pentanol 384.09
    methyl formate 113.13
    2-methyl-1-butanol 448.29
    n-decane 91.4
    butyronitrile 617.87
    3,7-dimethyl-1-octanol 321.6
    1-chlorooctane 345.57
    1-chlorotetradecane 106.59
    n-nonane 104.82
    undecane 55.59
    tert-butylcyclohexane 173.21
    cyclooctane 238.67
    cyclopentanol 589.46
    tetrahydropyran 2175.52
    tert-amyl methyl ether 793.48
    2,5,8-trioxanonane 639.26
    1-hexene 872.93
    2-isopropoxyethanol 405.16
    2,2,2-trifluoroethanol 44.28
    methyl butyrate 1050.74

    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
Cilantro (Coriander leaf) 3 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.7%
Ambrette seed (China) 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.37%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 4.77%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 5.12%
Bifora radians (Turkey) Bifora radians Bieb., fam. Apiaceae (Umbelliferae) 1.75%
Cilantro (Coriander leaf) 7 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 4.65%