Einecs 301-528-7

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  • Identifiers

    CAS number
    94022-32-9

    Molecular formula
    C16H28O2

    SMILES
    C1CCCCCC(=O)OCCC/C=C/CCCC1

    Safety labels

  • Odor profile

    Fragrance
    Musk 89.14%
    Sweet 72.76%
    Animal 60.56%
    Fruity 57.83%
    Powdery 57.21%
    Waxy 54.75%
    Amber 49.61%
    Fatty 37.7%
    Dry 37.35%
    Balsamic 34.7%

     

    Flavor
    Fruity 47.31%
    Animal 34.6%
    Natural 23.88%
    Musk 23.37%
    Minty 21.95%
    Powdery 21.85%
    Shrimp 21.56%
    Alkaline 20.17%
    Beet 19.45%
    Plant 19.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    12.09 (strong base)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 160.8 ˚C est.

  • Synonyms

    • EINECS 301-528-7
    • Oxacycloheptadec-13-en-2-one
    • 94022-32-9
    • SCHEMBL7950956
    • NS00064467
    • 94022-32-9

  • Applications

    Identified by EC 301-528-7 and CAS 94022-32-9, this chemical is commonly employed as an organic synthesis intermediate and can serve as a solvent or reaction medium in industrial processes; it also functions as a stabilizer and/or processing aid in polymer formulations, and is considered as a fragrance ingredient or odorant in perfumery; it is used in cosmetics and personal care formulations, and may appear in household cleaning products, and it can act as an additive in coatings and inks to improve processing characteristics and compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 609.19
    methanol 441.97
    isopropanol 667.31
    water 0.02
    ethyl acetate 1315.51
    n-propanol 609.16
    acetone 1537.45
    n-butanol 657.01
    acetonitrile 743.35
    DMF 1329.93
    toluene 908.92
    isobutanol 523.61
    1,4-dioxane 1423.76
    methyl acetate 794.37
    THF 2451.68
    2-butanone 1176.49
    n-pentanol 476.11
    sec-butanol 609.52
    n-hexane 331.73
    ethylene glycol 44.76
    NMP 1280.66
    cyclohexane 647.12
    DMSO 1741.93
    n-butyl acetate 1076.89
    n-octanol 284.52
    chloroform 3458.94
    n-propyl acetate 992.72
    acetic acid 602.02
    dichloromethane 3278.9
    cyclohexanone 2099.85
    propylene glycol 124.65
    isopropyl acetate 961.44
    DMAc 1090.44
    2-ethoxyethanol 546.54
    isopentanol 647.23
    n-heptane 189.06
    ethyl formate 539.11
    1,2-dichloroethane 2095.44
    n-hexanol 511.05
    2-methoxyethanol 731.42
    isobutyl acetate 648.05
    tetrachloromethane 488.23
    n-pentyl acetate 849.55
    transcutol 3066.64
    n-heptanol 266.5
    ethylbenzene 457.16
    MIBK 844.69
    2-propoxyethanol 707.79
    tert-butanol 791.41
    MTBE 1004.02
    2-butoxyethanol 539.62
    propionic acid 532.52
    o-xylene 480.76
    formic acid 87.12
    diethyl ether 1395.6
    m-xylene 536.89
    p-xylene 535.68
    chlorobenzene 1160.45
    dimethyl carbonate 303.17
    n-octane 65.34
    formamide 175.59
    cyclopentanone 2080.08
    2-pentanone 1298.17
    anisole 692.44
    cyclopentyl methyl ether 1397.94
    gamma-butyrolactone 1968.46
    1-methoxy-2-propanol 750.17
    pyridine 1863.97
    3-pentanone 917.7
    furfural 1425.3
    n-dodecane 40.74
    diethylene glycol 324.61
    diisopropyl ether 466.41
    tert-amyl alcohol 659.46
    acetylacetone 1220.72
    n-hexadecane 49.13
    acetophenone 684.62
    methyl propionate 801.84
    isopentyl acetate 886.96
    trichloroethylene 3324.26
    n-nonanol 258.79
    cyclohexanol 905.81
    benzyl alcohol 495.12
    2-ethylhexanol 390.64
    isooctanol 259.23
    dipropyl ether 812.19
    1,2-dichlorobenzene 1013.3
    ethyl lactate 304.97
    propylene carbonate 1053.0
    n-methylformamide 463.8
    2-pentanol 604.94
    n-pentane 233.82
    1-propoxy-2-propanol 676.31
    1-methoxy-2-propyl acetate 800.08
    2-(2-methoxypropoxy) propanol 505.51
    mesitylene 365.06
    ε-caprolactone 1539.41
    p-cymene 254.76
    epichlorohydrin 2067.91
    1,1,1-trichloroethane 1824.43
    2-aminoethanol 164.86
    morpholine-4-carbaldehyde 1162.16
    sulfolane 2206.69
    2,2,4-trimethylpentane 92.99
    2-methyltetrahydrofuran 1874.65
    n-hexyl acetate 947.91
    isooctane 83.79
    2-(2-butoxyethoxy)ethanol 785.86
    sec-butyl acetate 680.46
    tert-butyl acetate 935.09
    decalin 202.65
    glycerin 169.03
    diglyme 1461.14
    acrylic acid 381.8
    isopropyl myristate 338.67
    n-butyric acid 1099.98
    acetyl acetate 721.12
    di(2-ethylhexyl) phthalate 261.19
    ethyl propionate 807.38
    nitromethane 1073.71
    1,2-diethoxyethane 1246.3
    benzonitrile 806.08
    trioctyl phosphate 195.66
    1-bromopropane 1485.8
    gamma-valerolactone 2004.64
    n-decanol 182.19
    triethyl phosphate 316.03
    4-methyl-2-pentanol 344.69
    propionitrile 778.91
    vinylene carbonate 869.31
    1,1,2-trichlorotrifluoroethane 1188.22
    DMS 597.98
    cumene 281.68
    2-octanol 223.4
    2-hexanone 886.5
    octyl acetate 407.98
    limonene 434.9
    1,2-dimethoxyethane 1164.52
    ethyl orthosilicate 303.7
    tributyl phosphate 271.06
    diacetone alcohol 735.63
    N,N-dimethylaniline 452.26
    acrylonitrile 830.79
    aniline 808.4
    1,3-propanediol 336.37
    bromobenzene 1455.22
    dibromomethane 2387.28
    1,1,2,2-tetrachloroethane 2849.16
    2-methyl-cyclohexyl acetate 550.7
    tetrabutyl urea 349.43
    diisobutyl methanol 278.12
    2-phenylethanol 422.97
    styrene 634.67
    dioctyl adipate 493.9
    dimethyl sulfate 496.78
    ethyl butyrate 787.14
    methyl lactate 314.73
    butyl lactate 489.25
    diethyl carbonate 489.6
    propanediol butyl ether 478.2
    triethyl orthoformate 527.08
    p-tert-butyltoluene 243.38
    methyl 4-tert-butylbenzoate 564.18
    morpholine 1668.23
    tert-butylamine 583.75
    n-dodecanol 141.4
    dimethoxymethane 873.53
    ethylene carbonate 819.21
    cyrene 421.25
    2-ethoxyethyl acetate 892.72
    2-ethylhexyl acetate 706.6
    1,2,4-trichlorobenzene 1105.09
    4-methylpyridine 1615.92
    dibutyl ether 773.51
    2,6-dimethyl-4-heptanol 278.12
    DEF 1171.04
    dimethyl isosorbide 860.1
    tetrachloroethylene 1804.3
    eugenol 475.44
    triacetin 803.04
    span 80 544.43
    1,4-butanediol 134.01
    1,1-dichloroethane 2027.28
    2-methyl-1-pentanol 447.98
    methyl formate 332.5
    2-methyl-1-butanol 578.34
    n-decane 81.88
    butyronitrile 990.61
    3,7-dimethyl-1-octanol 335.83
    1-chlorooctane 343.11
    1-chlorotetradecane 119.91
    n-nonane 85.47
    undecane 54.25
    tert-butylcyclohexane 150.31
    cyclooctane 190.2
    cyclopentanol 811.3
    tetrahydropyran 2226.74
    tert-amyl methyl ether 710.27
    2,5,8-trioxanonane 903.64
    1-hexene 769.74
    2-isopropoxyethanol 484.19
    2,2,2-trifluoroethanol 171.36
    methyl butyrate 1094.18

    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