1-Docosene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1599-67-3

    Molecular formula
    C22H44

    SMILES
    CCCCCCCCCCCCCCCCCCCCC=C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 2195.0
    • Carbowax: 2194.0

  • Odor profile

    Waxy 75.68%
    Fatty 44.7%
    Oily 35.06%
    Sweet 24.14%
    Meaty 21.62%
    Fishy 21.0%
    Odorless 20.78%
    Gassy 20.14%
    Savory 16.81%
    Clean 15.57%

    Scent© AI

  • Properties

    XLogP3-AA
    12.2

    Molecular weight
    308.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    379°C

    Flash point est.
    177.72 ˚C

  • Synonyms

    • 1-Docosene
    • 1599-67-3
    • docos-1-ene
    • Docosene
    • UNII-AAM97MY7YB
    • AAM97MY7YB
    • NSC 78486
    • EINECS 216-490-6
    • NSC-78486
    • AI3-36497
    • DTXSID5029219
    • CHEBI:84220
    • EC 216-490-6
    • 29730-67-4
    • MFCD00027085
    • 1-Docosene; >99%
    • DTXCID209219
    • NSC78486
    • LMFA11000312
    • AKOS028108465
    • AS-56237
    • DB-043441
    • CS-0213243
    • D1013
    • NS00008398
    • D89761
    • Q27157591
    • 216-490-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.08
    methanol 7.5
    isopropanol 41.2
    water 0.0
    ethyl acetate 463.47
    n-propanol 44.86
    acetone 203.49
    n-butanol 81.43
    acetonitrile 32.17
    DMF 151.35
    toluene 325.08
    isobutanol 68.11
    1,4-dioxane 491.61
    methyl acetate 182.0
    THF 1605.92
    2-butanone 316.25
    n-pentanol 68.78
    sec-butanol 89.31
    n-hexane 358.85
    ethylene glycol 0.9
    NMP 577.96
    cyclohexane 1605.8
    DMSO 223.25
    n-butyl acetate 1117.82
    n-octanol 152.19
    chloroform 842.0
    n-propyl acetate 566.98
    acetic acid 33.21
    dichloromethane 801.56
    cyclohexanone 1124.72
    propylene glycol 4.42
    isopropyl acetate 641.14
    DMAc 369.0
    2-ethoxyethanol 84.41
    isopentanol 146.82
    n-heptane 1110.33
    ethyl formate 103.4
    1,2-dichloroethane 711.54
    n-hexanol 145.5
    2-methoxyethanol 76.4
    isobutyl acetate 501.59
    tetrachloromethane 381.04
    n-pentyl acetate 860.37
    transcutol 841.56
    n-heptanol 138.3
    ethylbenzene 274.78
    MIBK 580.24
    2-propoxyethanol 186.31
    tert-butanol 159.56
    MTBE 594.12
    2-butoxyethanol 200.46
    propionic acid 53.54
    o-xylene 329.61
    formic acid 2.07
    diethyl ether 541.82
    m-xylene 289.25
    p-xylene 376.47
    chlorobenzene 365.12
    dimethyl carbonate 77.91
    n-octane 268.37
    formamide 5.05
    cyclopentanone 1009.68
    2-pentanone 505.79
    anisole 380.63
    cyclopentyl methyl ether 1347.06
    gamma-butyrolactone 693.95
    1-methoxy-2-propanol 128.17
    pyridine 392.66
    3-pentanone 484.96
    furfural 349.29
    n-dodecane 82.42
    diethylene glycol 34.34
    diisopropyl ether 528.94
    tert-amyl alcohol 215.76
    acetylacetone 542.96
    n-hexadecane 106.37
    acetophenone 398.63
    methyl propionate 264.19
    isopentyl acetate 1132.0
    trichloroethylene 972.77
    n-nonanol 184.65
    cyclohexanol 311.13
    benzyl alcohol 99.87
    2-ethylhexanol 370.71
    isooctanol 199.54
    dipropyl ether 1913.82
    1,2-dichlorobenzene 468.75
    ethyl lactate 117.3
    propylene carbonate 453.18
    n-methylformamide 26.09
    2-pentanol 137.56
    n-pentane 217.5
    1-propoxy-2-propanol 398.68
    1-methoxy-2-propyl acetate 766.5
    2-(2-methoxypropoxy) propanol 267.29
    mesitylene 306.24
    ε-caprolactone 876.0
    p-cymene 461.34
    epichlorohydrin 764.74
    1,1,1-trichloroethane 1165.63
    2-aminoethanol 5.22
    morpholine-4-carbaldehyde 385.17
    sulfolane 1076.54
    2,2,4-trimethylpentane 185.84
    2-methyltetrahydrofuran 1373.68
    n-hexyl acetate 763.73
    isooctane 151.26
    2-(2-butoxyethoxy)ethanol 308.37
    sec-butyl acetate 656.07
    tert-butyl acetate 1041.97
    decalin 424.52
    glycerin 7.92
    diglyme 911.04
    acrylic acid 26.53
    isopropyl myristate 457.43
    n-butyric acid 202.85
    acetyl acetate 303.35
    di(2-ethylhexyl) phthalate 167.61
    ethyl propionate 583.97
    nitromethane 83.59
    1,2-diethoxyethane 1154.44
    benzonitrile 160.21
    trioctyl phosphate 160.65
    1-bromopropane 763.83
    gamma-valerolactone 774.93
    n-decanol 129.64
    triethyl phosphate 564.94
    4-methyl-2-pentanol 150.43
    propionitrile 80.23
    vinylene carbonate 233.36
    1,1,2-trichlorotrifluoroethane 296.83
    DMS 316.27
    cumene 235.74
    2-octanol 165.18
    2-hexanone 513.35
    octyl acetate 394.75
    limonene 1001.72
    1,2-dimethoxyethane 519.56
    ethyl orthosilicate 637.63
    tributyl phosphate 237.32
    diacetone alcohol 462.46
    N,N-dimethylaniline 346.91
    acrylonitrile 50.14
    aniline 157.92
    1,3-propanediol 19.96
    bromobenzene 555.72
    dibromomethane 683.78
    1,1,2,2-tetrachloroethane 1137.6
    2-methyl-cyclohexyl acetate 882.23
    tetrabutyl urea 358.95
    diisobutyl methanol 493.78
    2-phenylethanol 150.13
    styrene 276.42
    dioctyl adipate 509.02
    dimethyl sulfate 176.02
    ethyl butyrate 1357.37
    methyl lactate 63.67
    butyl lactate 311.93
    diethyl carbonate 636.14
    propanediol butyl ether 98.69
    triethyl orthoformate 1206.53
    p-tert-butyltoluene 453.13
    methyl 4-tert-butylbenzoate 493.07
    morpholine 509.99
    tert-butylamine 180.19
    n-dodecanol 104.84
    dimethoxymethane 234.66
    ethylene carbonate 281.05
    cyrene 230.75
    2-ethoxyethyl acetate 639.75
    2-ethylhexyl acetate 1139.98
    1,2,4-trichlorobenzene 500.21
    4-methylpyridine 440.16
    dibutyl ether 1263.64
    2,6-dimethyl-4-heptanol 493.78
    DEF 576.31
    dimethyl isosorbide 866.9
    tetrachloroethylene 643.02
    eugenol 232.43
    triacetin 573.68
    span 80 275.06
    1,4-butanediol 8.1
    1,1-dichloroethane 642.26
    2-methyl-1-pentanol 126.03
    methyl formate 26.71
    2-methyl-1-butanol 124.55
    n-decane 221.58
    butyronitrile 150.27
    3,7-dimethyl-1-octanol 297.63
    1-chlorooctane 502.44
    1-chlorotetradecane 175.88
    n-nonane 246.26
    undecane 123.77
    tert-butylcyclohexane 316.38
    cyclooctane 607.21
    cyclopentanol 247.27
    tetrahydropyran 1280.41
    tert-amyl methyl ether 643.74
    2,5,8-trioxanonane 543.32
    1-hexene 375.45
    2-isopropoxyethanol 120.86
    2,2,2-trifluoroethanol 16.04
    methyl butyrate 688.95

    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
Thymus pulegioides (Italy) Thymus pulegioides L., fam. Lamiaceae (Labiatae) 0.8%
Basil (Italy) 4a steamdistillate 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Italy) 4b CO2-extract 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Basil (Italy) 4b extract 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 2.7%
Dill herb (Reunion Island) 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 0.2%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.01%
Kewda (India) Pandanus fascicularis Lam., var. fascilarris, fam. Pandanaceae 0.1%
Myrtle leaf (Yugoslavia) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.2%