Dodec-3-en-1-yne

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    25091-24-1

    Molecular formula
    C12H20

    SMILES
    CCCCCCCCC=CC#C

  • Odor profile

    Green 64.42%
    Citrus 56.11%
    Fruity 54.13%
    Floral 52.43%
    Fresh 46.88%
    Waxy 45.71%
    Fatty 40.67%
    Aldehydic 39.53%
    Metallic 33.19%
    Cucumber 30.52%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    164.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    219°C

    Flash point est.
    78.88 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3148.42
    methanol 2113.27
    isopropanol 2599.42
    water 0.01
    ethyl acetate 4952.73
    n-propanol 2866.5
    acetone 5706.21
    n-butanol 3272.67
    acetonitrile 2266.03
    DMF 2297.09
    toluene 1902.79
    isobutanol 2006.41
    1,4-dioxane 5297.59
    methyl acetate 2821.35
    THF 9797.94
    2-butanone 4567.96
    n-pentanol 2123.74
    sec-butanol 2396.61
    n-hexane 3369.25
    ethylene glycol 187.23
    NMP 1545.88
    cyclohexane 5072.22
    DMSO 4251.93
    n-butyl acetate 5761.06
    n-octanol 863.13
    chloroform 5745.24
    n-propyl acetate 3152.2
    acetic acid 1242.36
    dichloromethane 6410.75
    cyclohexanone 5587.04
    propylene glycol 391.29
    isopropyl acetate 2538.25
    DMAc 1368.43
    2-ethoxyethanol 1798.31
    isopentanol 2338.39
    n-heptane 2919.38
    ethyl formate 1575.6
    1,2-dichloroethane 5284.68
    n-hexanol 3708.47
    2-methoxyethanol 2642.4
    isobutyl acetate 1592.04
    tetrachloromethane 1374.79
    n-pentyl acetate 1844.58
    transcutol 5445.55
    n-heptanol 938.66
    ethylbenzene 844.4
    MIBK 2157.96
    2-propoxyethanol 3158.32
    tert-butanol 2885.4
    MTBE 4188.38
    2-butoxyethanol 1197.63
    propionic acid 1376.98
    o-xylene 724.97
    formic acid 144.47
    diethyl ether 8769.08
    m-xylene 953.59
    p-xylene 878.03
    chlorobenzene 1602.47
    dimethyl carbonate 502.88
    n-octane 578.35
    formamide 287.83
    cyclopentanone 4962.22
    2-pentanone 5036.14
    anisole 1135.24
    cyclopentyl methyl ether 5150.54
    gamma-butyrolactone 3317.76
    1-methoxy-2-propanol 2296.63
    pyridine 3736.33
    3-pentanone 3214.46
    furfural 1801.63
    n-dodecane 186.48
    diethylene glycol 1086.05
    diisopropyl ether 2095.58
    tert-amyl alcohol 2122.62
    acetylacetone 2743.62
    n-hexadecane 222.33
    acetophenone 899.16
    methyl propionate 2537.23
    isopentyl acetate 3316.92
    trichloroethylene 5467.91
    n-nonanol 733.75
    cyclohexanol 3013.68
    benzyl alcohol 718.82
    2-ethylhexanol 2351.6
    isooctanol 741.81
    dipropyl ether 6995.73
    1,2-dichlorobenzene 1164.71
    ethyl lactate 541.13
    propylene carbonate 1642.03
    n-methylformamide 1015.94
    2-pentanol 2641.39
    n-pentane 2678.85
    1-propoxy-2-propanol 3175.6
    1-methoxy-2-propyl acetate 2435.0
    2-(2-methoxypropoxy) propanol 732.37
    mesitylene 611.54
    ε-caprolactone 3429.99
    p-cymene 638.97
    epichlorohydrin 4261.23
    1,1,1-trichloroethane 3807.85
    2-aminoethanol 570.51
    morpholine-4-carbaldehyde 1893.04
    sulfolane 3179.2
    2,2,4-trimethylpentane 417.26
    2-methyltetrahydrofuran 7551.95
    n-hexyl acetate 1957.09
    isooctane 430.51
    2-(2-butoxyethoxy)ethanol 1231.13
    sec-butyl acetate 1668.18
    tert-butyl acetate 2323.83
    decalin 728.87
    glycerin 383.71
    diglyme 2810.96
    acrylic acid 710.59
    isopropyl myristate 631.76
    n-butyric acid 3038.95
    acetyl acetate 1601.6
    di(2-ethylhexyl) phthalate 327.12
    ethyl propionate 2099.51
    nitromethane 2143.89
    1,2-diethoxyethane 4729.88
    benzonitrile 1113.56
    trioctyl phosphate 330.14
    1-bromopropane 6267.4
    gamma-valerolactone 3821.63
    n-decanol 510.84
    triethyl phosphate 655.98
    4-methyl-2-pentanol 1068.17
    propionitrile 2455.71
    vinylene carbonate 1220.7
    1,1,2-trichlorotrifluoroethane 1892.44
    DMS 900.99
    cumene 444.15
    2-octanol 672.35
    2-hexanone 3338.8
    octyl acetate 710.98
    limonene 1471.5
    1,2-dimethoxyethane 4028.2
    ethyl orthosilicate 752.59
    tributyl phosphate 470.02
    diacetone alcohol 1617.79
    N,N-dimethylaniline 611.93
    acrylonitrile 1761.58
    aniline 1249.68
    1,3-propanediol 1017.21
    bromobenzene 2065.41
    dibromomethane 5769.76
    1,1,2,2-tetrachloroethane 4562.43
    2-methyl-cyclohexyl acetate 1234.8
    tetrabutyl urea 581.95
    diisobutyl methanol 1230.86
    2-phenylethanol 971.67
    styrene 1136.52
    dioctyl adipate 707.89
    dimethyl sulfate 667.33
    ethyl butyrate 3398.2
    methyl lactate 516.46
    butyl lactate 816.33
    diethyl carbonate 1327.36
    propanediol butyl ether 760.02
    triethyl orthoformate 1788.63
    p-tert-butyltoluene 616.89
    methyl 4-tert-butylbenzoate 559.57
    morpholine 6734.06
    tert-butylamine 2408.03
    n-dodecanol 394.33
    dimethoxymethane 2890.01
    ethylene carbonate 1330.8
    cyrene 516.91
    2-ethoxyethyl acetate 1843.1
    2-ethylhexyl acetate 2780.78
    1,2,4-trichlorobenzene 1126.66
    4-methylpyridine 2968.75
    dibutyl ether 3246.71
    2,6-dimethyl-4-heptanol 1230.86
    DEF 3125.17
    dimethyl isosorbide 1270.7
    tetrachloroethylene 3179.3
    eugenol 508.96
    triacetin 995.44
    span 80 809.6
    1,4-butanediol 361.14
    1,1-dichloroethane 4957.22
    2-methyl-1-pentanol 1527.24
    methyl formate 733.18
    2-methyl-1-butanol 2069.25
    n-decane 441.25
    butyronitrile 3702.32
    3,7-dimethyl-1-octanol 937.47
    1-chlorooctane 1075.72
    1-chlorotetradecane 326.02
    n-nonane 606.79
    undecane 267.59
    tert-butylcyclohexane 574.24
    cyclooctane 1463.75
    cyclopentanol 2504.95
    tetrahydropyran 11558.92
    tert-amyl methyl ether 2515.08
    2,5,8-trioxanonane 1374.69
    1-hexene 5697.45
    2-isopropoxyethanol 1307.41
    2,2,2-trifluoroethanol 230.86
    methyl butyrate 2816.47

    Scent© AI

1 3

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
Abies nephrolepsis (China) Abies nephrolepsis (Trautr.) Maxim., fam. Pinaceae 0.1%