Hexadec-11-yn-13,15-diene

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C16H26

    SMILES
    CCCCCCCCCCC#C/C=C/C=C

  • Odor profile

    Fruity 63.64%
    Green 59.93%
    Floral 55.98%
    Citrus 51.59%
    Waxy 45.4%
    Fresh 44.78%
    Aldehydic 37.68%
    Fatty 37.6%
    Herbal 34.62%
    Tropical 32.06%

    Scent© AI

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    6.79 (neutral)

    Molecular weight
    218.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point est.
    131.42 ˚C

  • Synonyms

    • Hexadec-11-yn-13,15-diene
    • FWRSRLMOSLAFAV-FNORWQNLSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 765.83
    methanol 399.44
    isopropanol 815.24
    water 0.0
    ethyl acetate 4006.72
    n-propanol 886.98
    acetone 3373.47
    n-butanol 1119.29
    acetonitrile 839.58
    DMF 1392.54
    toluene 1897.64
    isobutanol 772.44
    1,4-dioxane 3484.72
    methyl acetate 1870.26
    THF 7532.32
    2-butanone 3264.86
    n-pentanol 875.35
    sec-butanol 1023.22
    n-hexane 2236.19
    ethylene glycol 29.02
    NMP 1473.31
    cyclohexane 4401.28
    DMSO 2465.25
    n-butyl acetate 5372.76
    n-octanol 594.94
    chloroform 3882.68
    n-propyl acetate 2897.62
    acetic acid 415.26
    dichloromethane 4775.65
    cyclohexanone 5182.54
    propylene glycol 95.97
    isopropyl acetate 2614.0
    DMAc 1309.55
    2-ethoxyethanol 822.89
    isopentanol 1196.55
    n-heptane 2571.33
    ethyl formate 877.97
    1,2-dichloroethane 4375.86
    n-hexanol 1621.79
    2-methoxyethanol 1012.2
    isobutyl acetate 1638.9
    tetrachloromethane 1018.22
    n-pentyl acetate 1998.68
    transcutol 4432.33
    n-heptanol 552.47
    ethylbenzene 956.35
    MIBK 2250.05
    2-propoxyethanol 1603.58
    tert-butanol 1325.04
    MTBE 3401.85
    2-butoxyethanol 751.28
    propionic acid 501.21
    o-xylene 940.96
    formic acid 30.62
    diethyl ether 6074.08
    m-xylene 1117.02
    p-xylene 1086.81
    chlorobenzene 1591.41
    dimethyl carbonate 423.32
    n-octane 532.54
    formamide 79.99
    cyclopentanone 4035.14
    2-pentanone 4205.03
    anisole 1262.99
    cyclopentyl methyl ether 4833.91
    gamma-butyrolactone 2532.01
    1-methoxy-2-propanol 1087.43
    pyridine 2913.21
    3-pentanone 2974.19
    furfural 1410.74
    n-dodecane 174.11
    diethylene glycol 391.42
    diisopropyl ether 2169.66
    tert-amyl alcohol 1288.1
    acetylacetone 2763.81
    n-hexadecane 218.18
    acetophenone 1109.95
    methyl propionate 1999.54
    isopentyl acetate 3522.38
    trichloroethylene 5182.47
    n-nonanol 574.8
    cyclohexanol 1669.76
    benzyl alcohol 532.06
    2-ethylhexanol 1704.52
    isooctanol 566.31
    dipropyl ether 6924.12
    1,2-dichlorobenzene 1361.6
    ethyl lactate 427.39
    propylene carbonate 1397.45
    n-methylformamide 374.3
    2-pentanol 1241.9
    n-pentane 1575.99
    1-propoxy-2-propanol 2058.76
    1-methoxy-2-propyl acetate 2519.21
    2-(2-methoxypropoxy) propanol 722.96
    mesitylene 822.19
    ε-caprolactone 3100.38
    p-cymene 820.8
    epichlorohydrin 3770.52
    1,1,1-trichloroethane 3798.09
    2-aminoethanol 113.17
    morpholine-4-carbaldehyde 1399.35
    sulfolane 2990.9
    2,2,4-trimethylpentane 398.18
    2-methyltetrahydrofuran 6068.84
    n-hexyl acetate 2108.22
    isooctane 403.12
    2-(2-butoxyethoxy)ethanol 1009.67
    sec-butyl acetate 1869.49
    tert-butyl acetate 2773.0
    decalin 812.46
    glycerin 102.4
    diglyme 2440.09
    acrylic acid 252.58
    isopropyl myristate 803.59
    n-butyric acid 1516.05
    acetyl acetate 1506.46
    di(2-ethylhexyl) phthalate 370.96
    ethyl propionate 2238.14
    nitromethane 1004.99
    1,2-diethoxyethane 4908.11
    benzonitrile 861.05
    trioctyl phosphate 345.88
    1-bromopropane 4683.91
    gamma-valerolactone 3114.04
    n-decanol 410.78
    triethyl phosphate 830.83
    4-methyl-2-pentanol 736.46
    propionitrile 1103.33
    vinylene carbonate 926.17
    1,1,2-trichlorotrifluoroethane 1270.55
    DMS 995.72
    cumene 571.84
    2-octanol 482.08
    2-hexanone 2982.47
    octyl acetate 815.57
    limonene 1821.8
    1,2-dimethoxyethane 2879.02
    ethyl orthosilicate 942.64
    tributyl phosphate 510.56
    diacetone alcohol 1481.66
    N,N-dimethylaniline 781.68
    acrylonitrile 783.78
    aniline 887.01
    1,3-propanediol 278.36
    bromobenzene 2239.86
    dibromomethane 4038.69
    1,1,2,2-tetrachloroethane 4508.89
    2-methyl-cyclohexyl acetate 1575.48
    tetrabutyl urea 680.43
    diisobutyl methanol 1187.16
    2-phenylethanol 769.98
    styrene 1229.01
    dioctyl adipate 901.24
    dimethyl sulfate 615.84
    ethyl butyrate 3851.4
    methyl lactate 312.97
    butyl lactate 804.86
    diethyl carbonate 1494.1
    propanediol butyl ether 459.12
    triethyl orthoformate 2120.69
    p-tert-butyltoluene 772.09
    methyl 4-tert-butylbenzoate 734.71
    morpholine 3977.64
    tert-butylamine 1177.11
    n-dodecanol 326.54
    dimethoxymethane 1983.17
    ethylene carbonate 985.19
    cyrene 499.87
    2-ethoxyethyl acetate 2040.9
    2-ethylhexyl acetate 3101.16
    1,2,4-trichlorobenzene 1332.59
    4-methylpyridine 2609.94
    dibutyl ether 3613.21
    2,6-dimethyl-4-heptanol 1187.16
    DEF 2879.21
    dimethyl isosorbide 1492.95
    tetrachloroethylene 2664.93
    eugenol 535.15
    triacetin 1203.93
    span 80 692.91
    1,4-butanediol 104.87
    1,1-dichloroethane 3791.06
    2-methyl-1-pentanol 945.64
    methyl formate 331.63
    2-methyl-1-butanol 1019.9
    n-decane 448.31
    butyronitrile 1811.49
    3,7-dimethyl-1-octanol 844.36
    1-chlorooctane 1197.91
    1-chlorotetradecane 363.4
    n-nonane 569.81
    undecane 255.99
    tert-butylcyclohexane 628.63
    cyclooctane 1414.52
    cyclopentanol 1198.39
    tetrahydropyran 8245.56
    tert-amyl methyl ether 2371.61
    2,5,8-trioxanonane 1336.66
    1-hexene 3773.17
    2-isopropoxyethanol 757.34
    2,2,2-trifluoroethanol 84.91
    methyl butyrate 2834.94

    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
Chamomile, german (India) 2d root 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 2.2%