1,6-Octadiene, 2,7-dimethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    40195-09-3

    Molecular formula
    C10H18

    SMILES
    CC(=CCCCC(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 73.79%
    Citrus 69.11%
    Herbal 60.29%
    Sweet 52.78%
    Lemon 52.25%
    Fresh 48.72%
    Woody 48.2%
    Terpenic 44.18%
    Rose 41.89%
    Fruity 39.83%

     

    Flavor
    Citrus 56.43%
    Floral 48.01%
    Sweet 39.29%
    Woody 37.73%
    Wood 34.44%
    Fresh 33.87%
    Spicy 33.2%
    Green 33.06%
    Fruity 32.72%
    Waxy 31.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    10.2 (weak base)

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 40.99 ˚C est.

  • Synonyms

    • 1,6-Octadiene, 2,7-dimethyl-
    • 2,7-Dimethyl-1,6-octadiene
    • 2,7-Dimethyl-2,7-octadiene
    • 40195-09-3
    • DTXSID80334517
    • RefChem:221640
    • DTXCID90285607
    • FHCSXUVUZAASRT-UHFFFAOYSA-N
    • 2,7-dimethylocta-1,6-diene
    • SCHEMBL3186465
    • SCHEMBL7939611
    • SCHEMBL11138456
    • 40195-09-3

  • Applications

    1,6-Octadiene, 2,7-dimethyl- (CAS number: 40195-09-3) is primarily used as an industrial chemical intermediate and a building block in organic synthesis. In polymers and plastics, it can function as a diene monomer or comonomer for specialty copolymers and participate in cycloaddition reactions (e.g., Diels–Alder) to access cyclic or bicyclic motifs. It can serve as a crosslinking component or reactive diluent in coatings, inks, and adhesives formulations. In fragrance research, it may be evaluated as a precursor to aroma-related structures. It is also encountered in R&D contexts for exploring novel material architectures and may be used in electronics-relevant polymer materials under controlled conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1380.29
    methanol 1045.81
    isopropanol 1239.2
    water 0.59
    ethyl acetate 1836.96
    n-propanol 1432.93
    acetone 1516.45
    n-butanol 1853.77
    acetonitrile 821.12
    DMF 1232.04
    toluene 1671.9
    isobutanol 1203.0
    1,4-dioxane 3039.18
    methyl acetate 1424.01
    THF 3646.77
    2-butanone 1879.71
    n-pentanol 1459.01
    sec-butanol 1773.8
    n-hexane 3614.49
    ethylene glycol 177.21
    NMP 1306.48
    cyclohexane 2688.35
    DMSO 824.32
    n-butyl acetate 2722.43
    n-octanol 1026.83
    chloroform 2913.42
    n-propyl acetate 1309.88
    acetic acid 801.93
    dichloromethane 1806.67
    cyclohexanone 2037.3
    propylene glycol 401.41
    isopropyl acetate 1571.97
    DMAc 1594.62
    2-ethoxyethanol 1178.12
    isopentanol 1928.4
    n-heptane 2032.17
    ethyl formate 575.43
    1,2-dichloroethane 1516.22
    n-hexanol 2807.96
    2-methoxyethanol 1469.9
    isobutyl acetate 1049.72
    tetrachloromethane 1097.82
    n-pentyl acetate 1049.87
    transcutol 4498.02
    n-heptanol 978.32
    ethylbenzene 1037.5
    MIBK 1310.28
    2-propoxyethanol 2555.73
    tert-butanol 2225.73
    MTBE 4576.15
    2-butoxyethanol 1185.91
    propionic acid 838.91
    o-xylene 1031.09
    formic acid 177.35
    diethyl ether 4176.43
    m-xylene 1043.13
    p-xylene 1037.93
    chlorobenzene 1079.81
    dimethyl carbonate 352.4
    n-octane 517.63
    formamide 217.0
    cyclopentanone 1599.15
    2-pentanone 1680.96
    anisole 1364.16
    cyclopentyl methyl ether 2752.94
    gamma-butyrolactone 1184.48
    1-methoxy-2-propanol 1406.16
    pyridine 1707.31
    3-pentanone 1715.6
    furfural 1039.12
    n-dodecane 250.18
    diethylene glycol 905.84
    diisopropyl ether 1932.83
    tert-amyl alcohol 2879.04
    acetylacetone 1226.68
    n-hexadecane 282.17
    acetophenone 818.67
    methyl propionate 1111.64
    isopentyl acetate 2397.76
    trichloroethylene 2175.11
    n-nonanol 935.28
    cyclohexanol 1820.32
    benzyl alcohol 651.64
    2-ethylhexanol 2229.32
    isooctanol 828.34
    dipropyl ether 3765.24
    1,2-dichlorobenzene 878.58
    ethyl lactate 440.01
    propylene carbonate 832.24
    n-methylformamide 504.15
    2-pentanol 1723.2
    n-pentane 2083.93
    1-propoxy-2-propanol 2391.66
    1-methoxy-2-propyl acetate 1793.48
    2-(2-methoxypropoxy) propanol 1237.27
    mesitylene 795.25
    ε-caprolactone 1727.76
    p-cymene 772.56
    epichlorohydrin 1690.4
    1,1,1-trichloroethane 2218.25
    2-aminoethanol 488.24
    morpholine-4-carbaldehyde 1531.58
    sulfolane 1202.65
    2,2,4-trimethylpentane 1055.35
    2-methyltetrahydrofuran 3661.58
    n-hexyl acetate 1635.48
    isooctane 750.85
    2-(2-butoxyethoxy)ethanol 1649.65
    sec-butyl acetate 1313.17
    tert-butyl acetate 2082.99
    decalin 1117.97
    glycerin 462.92
    diglyme 2726.61
    acrylic acid 531.2
    isopropyl myristate 762.79
    n-butyric acid 1400.8
    acetyl acetate 988.16
    di(2-ethylhexyl) phthalate 496.81
    ethyl propionate 1267.12
    nitromethane 871.17
    1,2-diethoxyethane 2896.61
    benzonitrile 723.15
    trioctyl phosphate 401.18
    1-bromopropane 2421.82
    gamma-valerolactone 1726.63
    n-decanol 685.23
    triethyl phosphate 683.3
    4-methyl-2-pentanol 1172.91
    propionitrile 1134.91
    vinylene carbonate 612.47
    1,1,2-trichlorotrifluoroethane 1309.24
    DMS 781.06
    cumene 694.72
    2-octanol 678.15
    2-hexanone 1762.8
    octyl acetate 871.0
    limonene 1612.77
    1,2-dimethoxyethane 2386.62
    ethyl orthosilicate 867.31
    tributyl phosphate 519.08
    diacetone alcohol 1434.81
    N,N-dimethylaniline 953.02
    acrylonitrile 789.1
    aniline 1135.25
    1,3-propanediol 737.32
    bromobenzene 1256.63
    dibromomethane 1815.81
    1,1,2,2-tetrachloroethane 2420.81
    2-methyl-cyclohexyl acetate 1355.74
    tetrabutyl urea 648.15
    diisobutyl methanol 1188.75
    2-phenylethanol 1094.61
    styrene 1155.94
    dioctyl adipate 791.0
    dimethyl sulfate 415.03
    ethyl butyrate 1704.71
    methyl lactate 445.21
    butyl lactate 675.65
    diethyl carbonate 944.21
    propanediol butyl ether 845.32
    triethyl orthoformate 1537.88
    p-tert-butyltoluene 837.7
    methyl 4-tert-butylbenzoate 887.67
    morpholine 3245.38
    tert-butylamine 2326.17
    n-dodecanol 547.9
    dimethoxymethane 1156.01
    ethylene carbonate 646.62
    cyrene 667.37
    2-ethoxyethyl acetate 1195.33
    2-ethylhexyl acetate 2270.08
    1,2,4-trichlorobenzene 1088.45
    4-methylpyridine 1782.6
    dibutyl ether 2437.07
    2,6-dimethyl-4-heptanol 1188.75
    DEF 1773.65
    dimethyl isosorbide 1488.48
    tetrachloroethylene 1758.89
    eugenol 678.26
    triacetin 1005.79
    span 80 1168.36
    1,4-butanediol 300.3
    1,1-dichloroethane 1853.28
    2-methyl-1-pentanol 1677.83
    methyl formate 318.86
    2-methyl-1-butanol 1937.8
    n-decane 487.64
    butyronitrile 1262.27
    3,7-dimethyl-1-octanol 1330.16
    1-chlorooctane 1067.2
    1-chlorotetradecane 435.35
    n-nonane 584.28
    undecane 324.27
    tert-butylcyclohexane 1159.9
    cyclooctane 1204.16
    cyclopentanol 1154.02
    tetrahydropyran 4207.33
    tert-amyl methyl ether 4003.18
    2,5,8-trioxanonane 1572.74
    1-hexene 4150.98
    2-isopropoxyethanol 1127.78
    2,2,2-trifluoroethanol 212.1
    methyl butyrate 1361.05

    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