1-Octene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    111-66-0

    Molecular formula
    C8H16

    SMILES
    CCCCCCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 793.5
    • Carbowax: 839.0

  • Odor profile

    Gassy 59.23%
    Citrus 43.69%
    Herbal 30.47%
    Sweet 27.89%
    Fresh 27.1%
    Green 21.56%
    Waxy 20.98%
    Lemon 20.86%
    Fishy 20.7%
    Fatty 19.89%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.0005 [mmHg]. [ICSC] Odor threshold (detection) from CHEMINFO

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -151 °F (USCG, 1999)
    • -101.7 °C
    • -102 °C

    Boiling point

    • 250.3 °F at 760 mmHg (USCG, 1999)
    • 121.2 °C @ 760 mm Hg
    • 123 °C

    Flash point est.
    14.13 ˚C

    Flash point expt.

    • 70 °F (USCG, 1999)
    • 10 °C
    • 70 °F (21 °C) (OPEN CUP)
    • 10 °C c.c.

    Solubility expt.

    • Miscible with ethanol, ether
    • Miscible in ethanol; soluble in ethyl ether and acetone
    • In water, 4.1 mg/l @ 25 °C
    • 0.0041 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.0004
    • Practically insoluble to insoluble
    • Slightly soluble (in ethanol)

  • Synonyms

    • 1-OCTENE
    • Oct-1-ene
    • 111-66-0
    • Caprylene
    • n-1-Octene
    • 1-Octylene
    • alpha-Octene
    • 1-Caprylene
    • OCTENE-1
    • Octylene
    • alpha-Octylene
    • .alpha.-Octene
    • 1-n-octene
    • NSC 8457
    • Octene, 1-
    • MFCD00009548
    • HSDB 1084
    • .alpha.-Octylene
    • Neodene 8
    • EINECS 203-893-7
    • E5VK21B9RC
    • DTXSID6025804
    • CHEBI:46708
    • AI3-28403
    • CAPRYLENE [MI]
    • NSC-8457
    • 1-OCTENE [FHFI]
    • 1-OCTENE [HSDB]
    • 1-C8H16
    • DTXCID705804
    • EC 203-893-7
    • 1-?Octene
    • 1-Octene, 98%
    • 1-Octene, analytical standard
    • Gulftene 8
    • n-octene-1
    • 26746-84-9
    • UNII-E5VK21B9RC
    • alphaoctene
    • n-octene
    • 1Caprylene
    • octene1
    • 1Octylene
    • n1Octene
    • 1-Octene-d2
    • C8-9 alpha-Alkenes
    • DIALENE 8
    • 1-Octene, 97%
    • SHOP C8
    • CHEMBL1376677
    • NSC8457
    • ECA43994
    • Tox21_200652
    • BBL027759
    • STL372709
    • AKOS009031490
    • 1-Octene, purum, >=97.0% (GC)
    • NCGC00091537-01
    • NCGC00091537-02
    • NCGC00258206-01
    • CAS-111-66-0
    • VS-08589
    • DB-040996
    • NS00007609
    • O0041
    • O0251
    • S0338
    • EN300-19738
    • D91846
    • Q161664
    • 203-893-7

  • Applications

    1-Octene (CAS 111-66-0) is a highly reactive linear alpha-olefin widely used as a comonomer in the manufacture of linear low-density polyethylene (LLDPE) and high-density polyethylene (HDPE) to enhance flexibility, tensile strength and heat-sealability, as a feedstock for epoxidation, oxidation or hydration reactions that generate derivatives such as 1,2-octanediol, n-octanol and octanoic acid employed in plastics, adhesives, coatings and lubricant additives; it also serves as an alkylating agent in the synthesis of surfactants, detergents and emulsifiers, as a precursor for PVC plasticizers and high-performance polyalphaolefin (PAO) synthetic lubricants, as an intermediate for fragrances, flavors and specialty solvents in pharmaceuticals and agrochemicals, and as a reference standard and reactive building block in organic chemistry research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4367.8
    methanol 2465.31
    isopropanol 4978.82
    water 0.04
    ethyl acetate 6146.58
    n-propanol 4773.65
    acetone 5711.42
    n-butanol 6911.27
    acetonitrile 2635.26
    DMF 2444.16
    toluene 3392.11
    isobutanol 3814.31
    1,4-dioxane 7330.12
    methyl acetate 3143.11
    THF 14710.4
    2-butanone 5504.18
    n-pentanol 4166.49
    sec-butanol 5315.9
    n-hexane 10491.58
    ethylene glycol 223.61
    NMP 1844.8
    cyclohexane 10180.16
    DMSO 3792.87
    n-butyl acetate 13718.22
    n-octanol 2025.99
    chloroform 7232.99
    n-propyl acetate 4124.47
    acetic acid 1304.6
    dichloromethane 6719.98
    cyclohexanone 6691.38
    propylene glycol 496.56
    isopropyl acetate 3876.55
    DMAc 1471.78
    2-ethoxyethanol 2339.77
    isopentanol 6069.2
    n-heptane 12438.67
    ethyl formate 1910.59
    1,2-dichloroethane 5526.11
    n-hexanol 10266.54
    2-methoxyethanol 3260.46
    isobutyl acetate 2328.32
    tetrachloromethane 2235.72
    n-pentyl acetate 3188.65
    transcutol 7566.34
    n-heptanol 2406.47
    ethylbenzene 1722.21
    MIBK 3723.96
    2-propoxyethanol 6410.23
    tert-butanol 7220.88
    MTBE 10021.6
    2-butoxyethanol 2316.86
    propionic acid 1724.59
    o-xylene 1374.88
    formic acid 134.31
    diethyl ether 14172.24
    m-xylene 1868.24
    p-xylene 1747.96
    chlorobenzene 2363.26
    dimethyl carbonate 454.16
    n-octane 2065.62
    formamide 214.64
    cyclopentanone 5486.73
    2-pentanone 6650.13
    anisole 1819.91
    cyclopentyl methyl ether 8164.43
    gamma-butyrolactone 3569.7
    1-methoxy-2-propanol 3391.66
    pyridine 5307.29
    3-pentanone 3821.36
    furfural 1986.25
    n-dodecane 637.98
    diethylene glycol 1581.64
    diisopropyl ether 4462.37
    tert-amyl alcohol 5909.95
    acetylacetone 3052.03
    n-hexadecane 747.2
    acetophenone 1039.73
    methyl propionate 2697.55
    isopentyl acetate 8175.3
    trichloroethylene 5703.51
    n-nonanol 1789.66
    cyclohexanol 5442.61
    benzyl alcohol 1068.63
    2-ethylhexanol 8510.35
    isooctanol 1917.2
    dipropyl ether 18138.08
    1,2-dichlorobenzene 1543.67
    ethyl lactate 611.45
    propylene carbonate 1971.02
    n-methylformamide 968.65
    2-pentanol 5995.25
    n-pentane 7245.1
    1-propoxy-2-propanol 7321.49
    1-methoxy-2-propyl acetate 3877.5
    2-(2-methoxypropoxy) propanol 1220.76
    mesitylene 1279.78
    ε-caprolactone 4624.65
    p-cymene 1984.67
    epichlorohydrin 5202.68
    1,1,1-trichloroethane 5768.36
    2-aminoethanol 703.84
    morpholine-4-carbaldehyde 2061.5
    sulfolane 3145.99
    2,2,4-trimethylpentane 1593.45
    2-methyltetrahydrofuran 13543.57
    n-hexyl acetate 3619.32
    isooctane 1650.29
    2-(2-butoxyethoxy)ethanol 2098.96
    sec-butyl acetate 2588.45
    tert-butyl acetate 3798.4
    decalin 1926.09
    glycerin 458.42
    diglyme 4253.4
    acrylic acid 826.33
    isopropyl myristate 1281.03
    n-butyric acid 4779.91
    acetyl acetate 1790.02
    di(2-ethylhexyl) phthalate 569.43
    ethyl propionate 3056.27
    nitromethane 1729.16
    1,2-diethoxyethane 8678.11
    benzonitrile 1756.64
    trioctyl phosphate 594.71
    1-bromopropane 10327.79
    gamma-valerolactone 4201.14
    n-decanol 1316.14
    triethyl phosphate 1083.8
    4-methyl-2-pentanol 2922.01
    propionitrile 3845.3
    vinylene carbonate 1298.78
    1,1,2-trichlorotrifluoroethane 1816.63
    DMS 909.23
    cumene 960.03
    2-octanol 1715.08
    2-hexanone 5221.91
    octyl acetate 1416.4
    limonene 4708.97
    1,2-dimethoxyethane 6177.62
    ethyl orthosilicate 1473.62
    tributyl phosphate 824.14
    diacetone alcohol 2431.62
    N,N-dimethylaniline 1048.24
    acrylonitrile 2373.27
    aniline 2272.56
    1,3-propanediol 1535.4
    bromobenzene 2903.58
    dibromomethane 7085.85
    1,1,2,2-tetrachloroethane 4823.14
    2-methyl-cyclohexyl acetate 2647.16
    tetrabutyl urea 981.55
    diisobutyl methanol 3788.47
    2-phenylethanol 2143.72
    styrene 2130.79
    dioctyl adipate 1152.46
    dimethyl sulfate 494.57
    ethyl butyrate 7451.55
    methyl lactate 524.32
    butyl lactate 1296.79
    diethyl carbonate 2545.26
    propanediol butyl ether 1146.46
    triethyl orthoformate 3972.93
    p-tert-butyltoluene 1933.64
    methyl 4-tert-butylbenzoate 822.77
    morpholine 9291.96
    tert-butylamine 7518.75
    n-dodecanol 1041.44
    dimethoxymethane 3017.04
    ethylene carbonate 1531.53
    cyrene 613.56
    2-ethoxyethyl acetate 2353.61
    2-ethylhexyl acetate 7040.21
    1,2,4-trichlorobenzene 1453.84
    4-methylpyridine 4831.23
    dibutyl ether 8931.67
    2,6-dimethyl-4-heptanol 3788.47
    DEF 4085.23
    dimethyl isosorbide 2029.99
    tetrachloroethylene 3528.33
    eugenol 700.53
    triacetin 1123.42
    span 80 1530.37
    1,4-butanediol 480.85
    1,1-dichloroethane 6502.22
    2-methyl-1-pentanol 3544.63
    methyl formate 623.55
    2-methyl-1-butanol 4829.18
    n-decane 1506.85
    butyronitrile 6663.93
    3,7-dimethyl-1-octanol 2734.71
    1-chlorooctane 2615.12
    1-chlorotetradecane 809.79
    n-nonane 2014.54
    undecane 929.07
    tert-butylcyclohexane 1805.81
    cyclooctane 3338.97
    cyclopentanol 4153.95
    tetrahydropyran 17651.49
    tert-amyl methyl ether 6201.3
    2,5,8-trioxanonane 1925.69
    1-hexene 15142.23
    2-isopropoxyethanol 1901.52
    2,2,2-trifluoroethanol 187.16
    methyl butyrate 4092.94

    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
Wormwood (Mugwort) (Germany) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.2%
Artemisia verlotiorum (France) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.01%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 1.0%