1-Chlorooctadecane

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  • Identifiers

    CAS number
    3386-33-2

    Molecular formula
    C18H37Cl

    SMILES
    CCCCCCCCCCCCCCCCCCCl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 79.47%
    Fatty 47.19%
    Oily 37.98%
    Odorless 23.86%
    Meaty 21.91%
    Fishy 21.39%
    Clean 17.7%
    Sweet 17.13%
    Savory 17.11%
    Burnt 17.01%

     

    Flavor
    Alkane 46.85%
    Waxy 43.51%
    Bland 27.69%
    Mild 24.77%
    Slightly waxy 22.4%
    Delicate 21.66%
    Faint 20.76%
    Incense 20.48%
    Citrus peel 20.33%
    Bay oil 20.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.1

    pKa est.
    8.01 (weak base)

    Molecular weight
    288.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Flash point

    • 161.04 ˚C est.

  • Synonyms

    • 1-CHLOROOCTADECANE
    • 3386-33-2
    • Octadecyl chloride
    • Octadecane, 1-chloro-
    • n-Octadecyl chloride
    • DTXSID3027536
    • 73H8VD533I
    • J595I
    • NSC-5543
    • DTXCID007536
    • RefChem:75460
    • 222-207-7
    • Chlorooctadecane
    • MFCD00000960
    • stearylchloride
    • Octadecane, chloro-
    • C18H37Cl
    • NSC 5543
    • EINECS 222-207-7
    • 1-Chlorooctadecane 10000 microg/mL in Dichloromethane
    • chloroctadecyl
    • UNII-73H8VD533I
    • AI3-28591
    • Octadecane, 1-chloro-; 1-Chlorooctadecane; 1-Octadecyl chloride; NSC 5543; Octadecyl chloride; n-Octadecyl chloride
    • 1-chloro-octadecane
    • 1-chloranyloctadecane
    • 1-Chlorooctadecane, 96%
    • EC 222-207-7
    • SCHEMBL7496
    • 1-OCTADECYL CHLORIDE
    • SCHEMBL181424
    • SCHEMBL181425
    • SCHEMBL2931415
    • SCHEMBL9397220
    • CHEMBL3187568
    • NSC5543
    • Tox21_202998
    • SBB059963
    • AKOS009031592
    • 1-Chlorooctadecane, analytical standard
    • CS-W014556
    • NCGC00260543-01
    • CAS-3386-33-2
    • DB-048506
    • NS00007161
    • ST51046227
    • EN300-19888
    • A10751
    • A821964
    • F243013
    • Q27266182
    • 1-Chlorooctadecane

  • Applications

    1-Chlorooctadecane (CAS number: 3386-33-2) is primarily used as an organic synthesis intermediate to introduce the C18 hydrophobic tail into molecules, for example to prepare long-chain derivatives such as quaternary ammonium surfactants or octadecyl esters and ethers. It can serve as a precursor for surface-active compounds and related agents used in coatings, inks, and cleaning formulations. In polymers and coatings, it can be applied for surface modification to impart hydrophobicity and water repellence. It may also function as a waxy component or additive in specialty lubricant packages to improve film formation and durability, and as a building block for octadecyl-containing adhesives or sealants. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.08
    methanol 16.89
    isopropanol 81.94
    water 0.0
    ethyl acetate 714.26
    n-propanol 91.72
    acetone 386.06
    n-butanol 154.09
    acetonitrile 78.68
    DMF 357.55
    toluene 486.31
    isobutanol 131.38
    1,4-dioxane 832.3
    methyl acetate 334.65
    THF 2201.93
    2-butanone 545.92
    n-pentanol 128.36
    sec-butanol 157.79
    n-hexane 385.92
    ethylene glycol 2.71
    NMP 1048.65
    cyclohexane 1745.53
    DMSO 430.75
    n-butyl acetate 1521.62
    n-octanol 226.23
    chloroform 1622.98
    n-propyl acetate 888.16
    acetic acid 90.18
    dichloromethane 1415.99
    cyclohexanone 1961.94
    propylene glycol 11.13
    isopropyl acetate 810.02
    DMAc 598.97
    2-ethoxyethanol 168.04
    isopentanol 249.45
    n-heptane 1108.18
    ethyl formate 223.09
    1,2-dichloroethane 1176.85
    n-hexanol 244.98
    2-methoxyethanol 162.42
    isobutyl acetate 722.39
    tetrachloromethane 629.3
    n-pentyl acetate 1205.01
    transcutol 1212.15
    n-heptanol 227.16
    ethylbenzene 379.42
    MIBK 756.51
    2-propoxyethanol 320.6
    tert-butanol 253.13
    MTBE 715.11
    2-butoxyethanol 354.04
    propionic acid 126.05
    o-xylene 446.23
    formic acid 6.16
    diethyl ether 675.42
    m-xylene 389.39
    p-xylene 545.55
    chlorobenzene 626.86
    dimethyl carbonate 131.35
    n-octane 264.91
    formamide 15.55
    cyclopentanone 1773.87
    2-pentanone 787.56
    anisole 562.34
    cyclopentyl methyl ether 1743.2
    gamma-butyrolactone 1290.7
    1-methoxy-2-propanol 229.4
    pyridine 745.45
    3-pentanone 722.87
    furfural 729.06
    n-dodecane 86.92
    diethylene glycol 76.5
    diisopropyl ether 547.52
    tert-amyl alcohol 312.29
    acetylacetone 827.1
    n-hexadecane 111.75
    acetophenone 650.38
    methyl propionate 424.12
    isopentyl acetate 1412.83
    trichloroethylene 1825.22
    n-nonanol 259.21
    cyclohexanol 613.28
    benzyl alcohol 209.47
    2-ethylhexanol 514.58
    isooctanol 296.34
    dipropyl ether 2183.13
    1,2-dichlorobenzene 782.88
    ethyl lactate 203.81
    propylene carbonate 848.22
    n-methylformamide 74.84
    2-pentanol 216.83
    n-pentane 247.44
    1-propoxy-2-propanol 595.65
    1-methoxy-2-propyl acetate 948.23
    2-(2-methoxypropoxy) propanol 357.35
    mesitylene 380.4
    ε-caprolactone 1494.75
    p-cymene 557.33
    epichlorohydrin 1350.95
    1,1,1-trichloroethane 1837.03
    2-aminoethanol 13.9
    morpholine-4-carbaldehyde 745.97
    sulfolane 1917.76
    2,2,4-trimethylpentane 178.43
    2-methyltetrahydrofuran 1843.47
    n-hexyl acetate 1009.4
    isooctane 133.59
    2-(2-butoxyethoxy)ethanol 464.88
    sec-butyl acetate 825.49
    tert-butyl acetate 1185.66
    decalin 440.42
    glycerin 20.44
    diglyme 1331.61
    acrylic acid 71.58
    isopropyl myristate 526.49
    n-butyric acid 405.66
    acetyl acetate 476.05
    di(2-ethylhexyl) phthalate 234.6
    ethyl propionate 799.05
    nitromethane 216.63
    1,2-diethoxyethane 1356.52
    benzonitrile 342.59
    trioctyl phosphate 221.11
    1-bromopropane 1020.14
    gamma-valerolactone 1451.9
    n-decanol 182.11
    triethyl phosphate 682.36
    4-methyl-2-pentanol 201.34
    propionitrile 161.41
    vinylene carbonate 507.29
    1,1,2-trichlorotrifluoroethane 639.65
    DMS 442.38
    cumene 317.84
    2-octanol 243.75
    2-hexanone 767.56
    octyl acetate 501.12
    limonene 1141.39
    1,2-dimethoxyethane 884.4
    ethyl orthosilicate 751.57
    tributyl phosphate 316.78
    diacetone alcohol 651.08
    N,N-dimethylaniline 473.93
    acrylonitrile 128.6
    aniline 305.1
    1,3-propanediol 45.67
    bromobenzene 890.71
    dibromomethane 1148.82
    1,1,2,2-tetrachloroethane 2002.32
    2-methyl-cyclohexyl acetate 1105.2
    tetrabutyl urea 473.27
    diisobutyl methanol 546.35
    2-phenylethanol 263.46
    styrene 419.14
    dioctyl adipate 635.88
    dimethyl sulfate 288.82
    ethyl butyrate 1692.75
    methyl lactate 120.66
    butyl lactate 496.99
    diethyl carbonate 808.47
    propanediol butyl ether 194.07
    triethyl orthoformate 1402.67
    p-tert-butyltoluene 525.83
    methyl 4-tert-butylbenzoate 664.28
    morpholine 910.12
    tert-butylamine 259.12
    n-dodecanol 144.13
    dimethoxymethane 371.89
    ethylene carbonate 571.26
    cyrene 373.49
    2-ethoxyethyl acetate 895.6
    2-ethylhexyl acetate 1388.07
    1,2,4-trichlorobenzene 841.77
    4-methylpyridine 810.91
    dibutyl ether 1417.87
    2,6-dimethyl-4-heptanol 546.35
    DEF 931.56
    dimethyl isosorbide 1077.62
    tetrachloroethylene 1228.85
    eugenol 373.36
    triacetin 815.88
    span 80 390.28
    1,4-butanediol 20.82
    1,1-dichloroethane 1065.13
    2-methyl-1-pentanol 202.73
    methyl formate 72.7
    2-methyl-1-butanol 212.49
    n-decane 229.7
    butyronitrile 294.32
    3,7-dimethyl-1-octanol 369.03
    1-chlorooctane 609.73
    1-chlorotetradecane 204.45
    n-nonane 254.42
    undecane 129.37
    tert-butylcyclohexane 330.48
    cyclooctane 579.53
    cyclopentanol 482.86
    tetrahydropyran 1860.72
    tert-amyl methyl ether 736.36
    2,5,8-trioxanonane 740.07
    1-hexene 511.54
    2-isopropoxyethanol 216.17
    2,2,2-trifluoroethanol 47.61
    methyl butyrate 1043.17

    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