Cyclooctadec-2-EN-1-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    88642-01-7

    Molecular formula
    C18H32O

    SMILES
    C1CCCCCCCC=CC(=O)CCCCCCC1

  • Odor profile

    Musk 88.32%
    Animal 64.0%
    Powdery 61.31%
    Amber 48.45%
    Dry 43.93%
    Natural 40.27%
    Clean 37.39%
    Balsamic 35.99%
    Sweet 34.76%
    Warm 33.03%

    Scent© AI

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    9.64 (weak base)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point est.
    164.63 ˚C

  • Synonyms

    • CYCLOOCTADEC-2-EN-1-ONE
    • 88642-01-7
    • DTXSID70741534

  • Applications

    Cyclooctadec-2-EN-1-one (CAS 88642-01-7) is an 18‑membered macrocyclic α,β‑unsaturated ketone valued in perfumery as a musk/civet‑toned, warm, long‑lasting note and fixative that supports floral, woody, and amber accords in fine fragrances, personal care, and home care; it also serves as a versatile synthetic intermediate toward macrocyclic musks and pheromone analogs (via hydrogenation to cyclooctadecanone, epoxidation, Michael addition, or Baeyer–Villiger oxidation to macrocyclic lactones), a model substrate for catalytic studies (selective reductions, 1,4‑additions), a target for conformational/dynamic investigations (NMR, IR, computation), and a GC–MS/HPLC reference standard for the macrocyclic ketone family.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.63
    methanol 36.23
    isopropanol 99.51
    water 0.01
    ethyl acetate 570.56
    n-propanol 112.56
    acetone 390.97
    n-butanol 147.36
    acetonitrile 144.13
    DMF 470.99
    toluene 443.06
    isobutanol 117.85
    1,4-dioxane 585.45
    methyl acetate 318.27
    THF 1391.72
    2-butanone 457.2
    n-pentanol 113.5
    sec-butanol 138.55
    n-hexane 168.66
    ethylene glycol 5.21
    NMP 815.94
    cyclohexane 496.53
    DMSO 417.85
    n-butyl acetate 638.47
    n-octanol 123.82
    chloroform 1599.92
    n-propyl acetate 508.91
    acetic acid 108.1
    dichloromethane 1580.27
    cyclohexanone 1163.19
    propylene glycol 20.13
    isopropyl acetate 536.87
    DMAc 532.4
    2-ethoxyethanol 157.01
    isopentanol 190.08
    n-heptane 188.15
    ethyl formate 196.27
    1,2-dichloroethane 1087.55
    n-hexanol 171.6
    2-methoxyethanol 187.44
    isobutyl acetate 379.25
    tetrachloromethane 313.16
    n-pentyl acetate 562.3
    transcutol 1090.36
    n-heptanol 114.27
    ethylbenzene 265.82
    MIBK 456.24
    2-propoxyethanol 257.71
    tert-butanol 188.89
    MTBE 397.08
    2-butoxyethanol 234.8
    propionic acid 146.12
    o-xylene 300.66
    formic acid 12.69
    diethyl ether 459.29
    m-xylene 312.64
    p-xylene 337.86
    chlorobenzene 624.85
    dimethyl carbonate 142.9
    n-octane 60.12
    formamide 32.52
    cyclopentanone 1269.81
    2-pentanone 565.94
    anisole 407.7
    cyclopentyl methyl ether 871.1
    gamma-butyrolactone 1102.88
    1-methoxy-2-propanol 248.03
    pyridine 795.32
    3-pentanone 490.98
    furfural 760.89
    n-dodecane 31.7
    diethylene glycol 87.97
    diisopropyl ether 264.75
    tert-amyl alcohol 192.13
    acetylacetone 671.87
    n-hexadecane 39.99
    acetophenone 436.19
    methyl propionate 386.96
    isopentyl acetate 578.39
    trichloroethylene 1776.35
    n-nonanol 132.69
    cyclohexanol 343.12
    benzyl alcohol 209.87
    2-ethylhexanol 210.44
    isooctanol 131.82
    dipropyl ether 592.59
    1,2-dichlorobenzene 669.05
    ethyl lactate 166.24
    propylene carbonate 652.21
    n-methylformamide 114.85
    2-pentanol 168.28
    n-pentane 110.24
    1-propoxy-2-propanol 315.55
    1-methoxy-2-propyl acetate 511.37
    2-(2-methoxypropoxy) propanol 262.37
    mesitylene 242.57
    ε-caprolactone 887.73
    p-cymene 210.63
    epichlorohydrin 1121.03
    1,1,1-trichloroethane 1146.31
    2-aminoethanol 25.22
    morpholine-4-carbaldehyde 633.79
    sulfolane 1349.25
    2,2,4-trimethylpentane 64.28
    2-methyltetrahydrofuran 996.6
    n-hexyl acetate 559.55
    isooctane 55.43
    2-(2-butoxyethoxy)ethanol 359.17
    sec-butyl acetate 424.69
    tert-butyl acetate 592.54
    decalin 170.32
    glycerin 35.55
    diglyme 771.29
    acrylic acid 105.3
    isopropyl myristate 250.28
    n-butyric acid 354.98
    acetyl acetate 378.45
    di(2-ethylhexyl) phthalate 159.04
    ethyl propionate 474.43
    nitromethane 282.55
    1,2-diethoxyethane 665.4
    benzonitrile 377.04
    trioctyl phosphate 122.11
    1-bromopropane 703.54
    gamma-valerolactone 1134.85
    n-decanol 96.49
    triethyl phosphate 277.12
    4-methyl-2-pentanol 132.89
    propionitrile 230.99
    vinylene carbonate 469.53
    1,1,2-trichlorotrifluoroethane 561.32
    DMS 374.73
    cumene 185.69
    2-octanol 113.47
    2-hexanone 437.88
    octyl acetate 270.22
    limonene 360.32
    1,2-dimethoxyethane 512.81
    ethyl orthosilicate 269.54
    tributyl phosphate 179.43
    diacetone alcohol 372.88
    N,N-dimethylaniline 293.01
    acrylonitrile 235.34
    aniline 315.76
    1,3-propanediol 62.83
    bromobenzene 828.9
    dibromomethane 1075.5
    1,1,2,2-tetrachloroethane 1624.44
    2-methyl-cyclohexyl acetate 444.17
    tetrabutyl urea 236.06
    diisobutyl methanol 188.16
    2-phenylethanol 220.3
    styrene 345.7
    dioctyl adipate 340.95
    dimethyl sulfate 264.77
    ethyl butyrate 603.29
    methyl lactate 127.09
    butyl lactate 286.35
    diethyl carbonate 357.52
    propanediol butyl ether 180.51
    triethyl orthoformate 443.06
    p-tert-butyltoluene 197.5
    methyl 4-tert-butylbenzoate 405.22
    morpholine 679.1
    tert-butylamine 166.29
    n-dodecanol 77.54
    dimethoxymethane 359.81
    ethylene carbonate 443.08
    cyrene 266.33
    2-ethoxyethyl acetate 523.87
    2-ethylhexyl acetate 520.8
    1,2,4-trichlorobenzene 735.69
    4-methylpyridine 734.91
    dibutyl ether 499.92
    2,6-dimethyl-4-heptanol 188.16
    DEF 630.98
    dimethyl isosorbide 623.53
    tetrachloroethylene 953.59
    eugenol 277.92
    triacetin 526.45
    span 80 283.53
    1,4-butanediol 26.54
    1,1-dichloroethane 942.42
    2-methyl-1-pentanol 144.07
    methyl formate 101.11
    2-methyl-1-butanol 166.59
    n-decane 66.21
    butyronitrile 300.61
    3,7-dimethyl-1-octanol 179.19
    1-chlorooctane 246.0
    1-chlorotetradecane 90.99
    n-nonane 69.2
    undecane 42.99
    tert-butylcyclohexane 119.7
    cyclooctane 170.38
    cyclopentanol 306.79
    tetrahydropyran 974.75
    tert-amyl methyl ether 381.06
    2,5,8-trioxanonane 482.62
    1-hexene 306.83
    2-isopropoxyethanol 172.07
    2,2,2-trifluoroethanol 52.21
    methyl butyrate 597.09

    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
Civet secretion (China) 68916-26-7 Viverra zibetha L., fam. Viverridae 6.17%