CID 136739

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3618-11-9

    Molecular formula
    C9H16

    SMILES
    C1CCCC=CCCC1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 49.87%
    Musk 43.7%
    Citrus 37.87%
    Dry 35.83%
    Gassy 27.34%
    Amber 25.52%
    Animal 20.99%
    Waxy 20.58%
    Powdery 19.42%
    Woody 18.88%

     

    Flavor
    Ammoniacal 25.44%
    Animal 25.42%
    Shrimp 20.15%
    Alkaline 19.14%
    Tarry 17.78%
    Tar 17.58%
    Rotten 17.54%
    Beet 17.06%
    Terpentine 16.95%
    Terpenic 16.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.66 (weak base)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point

    • 46.34 ˚C est.

  • Synonyms

    • 3618-11-9
    • SCHEMBL304084
    • SCHEMBL446407
    • SCHEMBL973227
    • SCHEMBL973229
    • SCHEMBL973922
    • SCHEMBL975227
    • SCHEMBL1113085
    • SCHEMBL1113097
    • SCHEMBL1635236
    • SCHEMBL5413649
    • SCHEMBL29421045
    • DTXSID60957586
    • 3618-11-9

  • Applications

    CID 136739 (CAS 3618-11-9) is typically used as a synthetic intermediate in the manufacture of specialty chemicals; as a solvent or processing aid in various formulation and fabrication steps; as a stabilizer or processing additive in polymers and plastics; as a solvent or component in coatings and inks; and may be evaluated as an intermediate for pharmaceutical or agrochemical synthesis, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 764.2
    methanol 548.52
    isopropanol 624.51
    water 0.04
    ethyl acetate 1685.37
    n-propanol 762.7
    acetone 1703.98
    n-butanol 952.27
    acetonitrile 754.55
    DMF 897.38
    toluene 1669.06
    isobutanol 569.96
    1,4-dioxane 2506.23
    methyl acetate 938.08
    THF 5255.81
    2-butanone 1402.53
    n-pentanol 639.85
    sec-butanol 712.62
    n-hexane 1926.03
    ethylene glycol 53.95
    NMP 1271.11
    cyclohexane 3565.34
    DMSO 1266.07
    n-butyl acetate 3510.92
    n-octanol 481.69
    chloroform 3374.37
    n-propyl acetate 1166.82
    acetic acid 504.95
    dichloromethane 3271.04
    cyclohexanone 2888.96
    propylene glycol 101.18
    isopropyl acetate 1166.58
    DMAc 580.09
    2-ethoxyethanol 520.86
    isopentanol 801.77
    n-heptane 2781.29
    ethyl formate 565.49
    1,2-dichloroethane 2295.31
    n-hexanol 1598.7
    2-methoxyethanol 787.33
    isobutyl acetate 810.18
    tetrachloromethane 1031.77
    n-pentyl acetate 1032.8
    transcutol 2353.3
    n-heptanol 491.19
    ethylbenzene 618.01
    MIBK 982.96
    2-propoxyethanol 1391.02
    tert-butanol 907.1
    MTBE 1665.21
    2-butoxyethanol 577.58
    propionic acid 483.53
    o-xylene 707.54
    formic acid 58.44
    diethyl ether 3281.31
    m-xylene 803.23
    p-xylene 702.6
    chlorobenzene 1393.82
    dimethyl carbonate 234.69
    n-octane 541.47
    formamide 93.23
    cyclopentanone 2618.17
    2-pentanone 1737.74
    anisole 689.54
    cyclopentyl methyl ether 3086.87
    gamma-butyrolactone 1974.46
    1-methoxy-2-propanol 670.4
    pyridine 2058.89
    3-pentanone 1334.9
    furfural 1179.81
    n-dodecane 231.17
    diethylene glycol 452.72
    diisopropyl ether 1149.23
    tert-amyl alcohol 782.4
    acetylacetone 1209.37
    n-hexadecane 273.97
    acetophenone 505.85
    methyl propionate 911.49
    isopentyl acetate 2277.56
    trichloroethylene 2777.22
    n-nonanol 460.11
    cyclohexanol 1330.13
    benzyl alcohol 369.05
    2-ethylhexanol 1506.98
    isooctanol 442.43
    dipropyl ether 4407.28
    1,2-dichlorobenzene 959.82
    ethyl lactate 223.7
    propylene carbonate 1116.15
    n-methylformamide 344.36
    2-pentanol 843.18
    n-pentane 1555.1
    1-propoxy-2-propanol 1507.72
    1-methoxy-2-propyl acetate 1413.47
    2-(2-methoxypropoxy) propanol 474.03
    mesitylene 548.9
    ε-caprolactone 1855.76
    p-cymene 695.44
    epichlorohydrin 2174.43
    1,1,1-trichloroethane 2448.85
    2-aminoethanol 152.52
    morpholine-4-carbaldehyde 1135.06
    sulfolane 1923.91
    2,2,4-trimethylpentane 346.75
    2-methyltetrahydrofuran 4156.84
    n-hexyl acetate 1144.12
    isooctane 383.8
    2-(2-butoxyethoxy)ethanol 739.81
    sec-butyl acetate 799.42
    tert-butyl acetate 1155.54
    decalin 682.69
    glycerin 123.47
    diglyme 1456.32
    acrylic acid 303.22
    isopropyl myristate 522.31
    n-butyric acid 1082.93
    acetyl acetate 817.84
    di(2-ethylhexyl) phthalate 266.5
    ethyl propionate 871.27
    nitromethane 681.68
    1,2-diethoxyethane 2679.37
    benzonitrile 712.76
    trioctyl phosphate 241.44
    1-bromopropane 3022.0
    gamma-valerolactone 1870.63
    n-decanol 352.4
    triethyl phosphate 464.16
    4-methyl-2-pentanol 473.88
    propionitrile 930.2
    vinylene carbonate 740.52
    1,1,2-trichlorotrifluoroethane 788.72
    DMS 506.81
    cumene 358.38
    2-octanol 381.55
    2-hexanone 1310.17
    octyl acetate 536.43
    limonene 1674.47
    1,2-dimethoxyethane 1457.85
    ethyl orthosilicate 523.75
    tributyl phosphate 360.93
    diacetone alcohol 686.74
    N,N-dimethylaniline 442.89
    acrylonitrile 707.94
    aniline 877.02
    1,3-propanediol 286.05
    bromobenzene 1825.54
    dibromomethane 2983.43
    1,1,2,2-tetrachloroethane 2184.17
    2-methyl-cyclohexyl acetate 976.26
    tetrabutyl urea 457.43
    diisobutyl methanol 903.99
    2-phenylethanol 670.21
    styrene 836.39
    dioctyl adipate 518.87
    dimethyl sulfate 293.52
    ethyl butyrate 2084.37
    methyl lactate 201.84
    butyl lactate 424.1
    diethyl carbonate 802.7
    propanediol butyl ether 349.78
    triethyl orthoformate 1165.44
    p-tert-butyltoluene 672.23
    methyl 4-tert-butylbenzoate 436.42
    morpholine 2521.13
    tert-butylamine 922.57
    n-dodecanol 300.02
    dimethoxymethane 1059.91
    ethylene carbonate 779.75
    cyrene 337.85
    2-ethoxyethyl acetate 907.14
    2-ethylhexyl acetate 2094.84
    1,2,4-trichlorobenzene 973.44
    4-methylpyridine 1755.45
    dibutyl ether 2225.89
    2,6-dimethyl-4-heptanol 903.99
    DEF 1398.06
    dimethyl isosorbide 985.34
    tetrachloroethylene 1622.54
    eugenol 325.87
    triacetin 576.5
    span 80 555.43
    1,4-butanediol 105.31
    1,1-dichloroethane 2249.33
    2-methyl-1-pentanol 565.42
    methyl formate 272.27
    2-methyl-1-butanol 715.96
    n-decane 456.15
    butyronitrile 1308.12
    3,7-dimethyl-1-octanol 698.87
    1-chlorooctane 867.24
    1-chlorotetradecane 330.5
    n-nonane 553.26
    undecane 305.32
    tert-butylcyclohexane 534.4
    cyclooctane 1259.35
    cyclopentanol 1109.19
    tetrahydropyran 4725.88
    tert-amyl methyl ether 1244.85
    2,5,8-trioxanonane 900.61
    1-hexene 2661.46
    2-isopropoxyethanol 435.21
    2,2,2-trifluoroethanol 99.15
    methyl butyrate 1075.45

    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