1-Octadecene

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  • Identifiers

    CAS number
    112-88-9

    Molecular formula
    C18H36

    SMILES
    CCCCCCCCCCCCCCCCC=C

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1793.0

  • Odor profile

    Waxy 70.55%
    Fatty 40.82%
    Oily 33.83%
    Sweet 31.16%
    Gassy 27.45%
    Meaty 22.73%
    Fishy 21.88%
    Citrus 18.51%
    Odorless 18.24%
    Clean 18.23%

    Scent© AI

  • Properties

    XLogP3-AA
    10.0

    Molecular weight
    252.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point est.
    146.73 ˚C

  • Synonyms

    • 1-OCTADECENE
    • 112-88-9
    • Octadec-1-ene
    • OCTADECENE
    • alpha-Octadecene
    • .alpha.-Octadecene
    • Octadecene-1
    • Octadecylene alpha-
    • UNII-H5ZUQ6V4AK
    • H5ZUQ6V4AK
    • alpha-octadecylene
    • 27070-58-2
    • DTXSID3026932
    • CHEBI:30824
    • EINECS 204-012-9
    • NSC 66460
    • NSC-66460
    • OCTADECENE, 1-
    • AI3-06521
    • DTXCID106932
    • EC 204-012-9
    • 1-Octadecene, analytical standard
    • 1-octadecen
    • octadeca-1-ene
    • Neodene 18
    • EINECS 248-205-6
    • MFCD00009003
    • Octadecylene .alpha.-
    • Octadecylene, .alpha.-
    • EC 248-205-6
    • CHEMBL3187417
    • NSC66460
    • Tox21_202739
    • 1-Octadecene, >=95.0% (GC)
    • LMFA11000325
    • 1-Octadecene, technical grade, 90%
    • AKOS015904365
    • 1-Octadecene, technical, ~85% (GC)
    • 1-octadecene [standard material for gc]
    • NCGC00260287-01
    • BS-42192
    • CAS-112-88-9
    • FO171298
    • DB-041130
    • NS00006856
    • O0008
    • S0348
    • F71291
    • Q10859725
    • 204-012-9

  • Applications

    1-Octadecene (CAS 112-88-9) is a long-chain alpha-olefin with a high boiling point and low polarity, used as a non-coordinating reaction solvent and synthesis medium for colloidal nanomaterials (quantum dots, metal chalcogenides, perovskites) and as a host for surface ligands; as a feedstock/monomer to produce polyalphaolefins (PAO) for lubricant base oils and viscosity-index improvers; as a precursor via hydroformylation/hydrogenation to C19 alcohols for surfactants, emulsifiers and lubricant additives; in epoxidation, hydrosilylation and thiol–ene routes to functional silanes, hydrophobic coatings and polymer modifiers; as a diluent/processing solvent in metallocene or Ziegler–Natta catalysis and in masterbatch/dispersion formulations; as a high-boiling heat-transfer and processing medium in inorganic nanoparticle syntheses; it also appears in protective coating, surface treatment, plasticizer and agrochemical formulations; note it can self-polymerize at elevated temperatures, so inhibited storage and appropriate handling are recommended.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.03
    methanol 38.31
    isopropanol 221.62
    water 0.0
    ethyl acetate 1431.88
    n-propanol 212.83
    acetone 715.75
    n-butanol 366.44
    acetonitrile 133.39
    DMF 408.17
    toluene 1017.24
    isobutanol 269.91
    1,4-dioxane 1512.44
    methyl acetate 551.69
    THF 4249.47
    2-butanone 1029.58
    n-pentanol 279.14
    sec-butanol 382.6
    n-hexane 1644.57
    ethylene glycol 3.74
    NMP 964.73
    cyclohexane 4846.98
    DMSO 596.67
    n-butyl acetate 3367.47
    n-octanol 437.86
    chloroform 1935.49
    n-propyl acetate 1424.05
    acetic acid 91.71
    dichloromethane 1896.27
    cyclohexanone 2756.44
    propylene glycol 17.8
    isopropyl acetate 1602.81
    DMAc 705.72
    2-ethoxyethanol 259.6
    isopentanol 599.89
    n-heptane 4113.32
    ethyl formate 289.69
    1,2-dichloroethane 1823.35
    n-hexanol 669.27
    2-methoxyethanol 257.56
    isobutyl acetate 1207.79
    tetrachloromethane 816.95
    n-pentyl acetate 1739.22
    transcutol 2154.91
    n-heptanol 428.19
    ethylbenzene 741.87
    MIBK 1470.75
    2-propoxyethanol 649.64
    tert-butanol 682.93
    MTBE 2097.07
    2-butoxyethanol 522.93
    propionic acid 152.18
    o-xylene 819.36
    formic acid 4.41
    diethyl ether 2261.8
    m-xylene 794.34
    p-xylene 953.6
    chlorobenzene 887.18
    dimethyl carbonate 171.15
    n-octane 853.11
    formamide 11.43
    cyclopentanone 2177.0
    2-pentanone 1599.39
    anisole 883.72
    cyclopentyl methyl ether 3304.69
    gamma-butyrolactone 1431.18
    1-methoxy-2-propanol 404.43
    pyridine 1177.65
    3-pentanone 1331.36
    furfural 718.9
    n-dodecane 251.32
    diethylene glycol 116.53
    diisopropyl ether 1646.26
    tert-amyl alcohol 763.95
    acetylacetone 1290.41
    n-hexadecane 319.66
    acetophenone 804.61
    methyl propionate 718.22
    isopentyl acetate 2965.51
    trichloroethylene 2185.18
    n-nonanol 487.22
    cyclohexanol 1014.66
    benzyl alcohol 270.24
    2-ethylhexanol 1334.43
    isooctanol 556.93
    dipropyl ether 5936.87
    1,2-dichlorobenzene 986.7
    ethyl lactate 256.56
    propylene carbonate 897.24
    n-methylformamide 78.93
    2-pentanol 579.47
    n-pentane 1066.29
    1-propoxy-2-propanol 1273.26
    1-methoxy-2-propyl acetate 1745.37
    2-(2-methoxypropoxy) propanol 571.32
    mesitylene 762.66
    ε-caprolactone 1936.32
    p-cymene 1073.05
    epichlorohydrin 1835.74
    1,1,1-trichloroethane 2536.38
    2-aminoethanol 20.42
    morpholine-4-carbaldehyde 779.14
    sulfolane 1861.34
    2,2,4-trimethylpentane 524.6
    2-methyltetrahydrofuran 3743.67
    n-hexyl acetate 1634.65
    isooctane 495.75
    2-(2-butoxyethoxy)ethanol 736.22
    sec-butyl acetate 1478.33
    tert-butyl acetate 2342.84
    decalin 1136.02
    glycerin 25.73
    diglyme 1874.69
    acrylic acid 70.02
    isopropyl myristate 927.55
    n-butyric acid 593.21
    acetyl acetate 718.42
    di(2-ethylhexyl) phthalate 337.93
    ethyl propionate 1410.17
    nitromethane 218.78
    1,2-diethoxyethane 3158.07
    benzonitrile 446.44
    trioctyl phosphate 335.97
    1-bromopropane 2411.12
    gamma-valerolactone 1591.95
    n-decanol 352.05
    triethyl phosphate 1012.97
    4-methyl-2-pentanol 508.98
    propionitrile 312.13
    vinylene carbonate 462.99
    1,1,2-trichlorotrifluoroethane 621.68
    DMS 602.45
    cumene 579.52
    2-octanol 468.24
    2-hexanone 1408.97
    octyl acetate 832.88
    limonene 2407.75
    1,2-dimethoxyethane 1423.34
    ethyl orthosilicate 1200.29
    tributyl phosphate 492.43
    diacetone alcohol 1068.01
    N,N-dimethylaniline 745.51
    acrylonitrile 180.07
    aniline 467.87
    1,3-propanediol 75.14
    bromobenzene 1325.14
    dibromomethane 1747.82
    1,1,2,2-tetrachloroethane 2499.68
    2-methyl-cyclohexyl acetate 1792.16
    tetrabutyl urea 694.54
    diisobutyl methanol 1412.17
    2-phenylethanol 431.61
    styrene 771.63
    dioctyl adipate 965.72
    dimethyl sulfate 309.54
    ethyl butyrate 3294.94
    methyl lactate 140.87
    butyl lactate 630.09
    diethyl carbonate 1448.17
    propanediol butyl ether 258.21
    triethyl orthoformate 2543.06
    p-tert-butyltoluene 1075.83
    methyl 4-tert-butylbenzoate 864.38
    morpholine 1642.3
    tert-butylamine 796.79
    n-dodecanol 294.47
    dimethoxymethane 644.82
    ethylene carbonate 582.42
    cyrene 410.84
    2-ethoxyethyl acetate 1261.78
    2-ethylhexyl acetate 2880.56
    1,2,4-trichlorobenzene 1016.21
    4-methylpyridine 1222.61
    dibutyl ether 3503.06
    2,6-dimethyl-4-heptanol 1412.17
    DEF 1458.62
    dimethyl isosorbide 1469.59
    tetrachloroethylene 1398.83
    eugenol 447.27
    triacetin 991.35
    span 80 579.56
    1,4-butanediol 28.55
    1,1-dichloroethane 1734.65
    2-methyl-1-pentanol 452.47
    methyl formate 69.67
    2-methyl-1-butanol 466.2
    n-decane 640.26
    butyronitrile 594.17
    3,7-dimethyl-1-octanol 825.78
    1-chlorooctane 1267.33
    1-chlorotetradecane 452.19
    n-nonane 759.95
    undecane 371.85
    tert-butylcyclohexane 874.31
    cyclooctane 1753.16
    cyclopentanol 721.64
    tetrahydropyran 4180.14
    tert-amyl methyl ether 1827.53
    2,5,8-trioxanonane 1065.07
    1-hexene 1761.44
    2-isopropoxyethanol 356.4
    2,2,2-trifluoroethanol 30.23
    methyl butyrate 1662.18

    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

Botanical

Name CAS Botanical Proportion
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.7%
Violet odorata leaf 1 8024-08-6 Viola odorata L., fam. Violaceae 1.3%
Violet odorata leaf 2 8024-08-6 Viola odorata L., fam. Violaceae 10.6%
Minthostachys spicata Minthostachys spicata (Benth.) Epl., fam Lamiaceae (Labiatae) 0.01%
Vitex agnus-castus fruit (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.2%
Vitex agnus-castus inflorescence (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.3%
Calamus (China) 1a leaf 8015-79-0 Acorus calamus L., fam. Araceae 0.04%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.05%