2-Heptene, 3-methyl-

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  • Identifiers

    CAS number
    3404-75-9

    Molecular formula
    C8H16

    SMILES
    CCCC/C(=C/C)/C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Citrus 49.18%
    Herbal 48.92%
    Gassy 46.35%
    Fresh 41.1%
    Sweet 37.23%
    Lemon 37.22%
    Terpenic 31.55%
    Floral 30.51%
    Fruity 28.43%
    Spicy 26.01%

     

    Flavor
    Citrus 45.18%
    Alkane 35.61%
    Gasoline 32.09%
    Sweet 30.43%
    Woody 27.42%
    Fresh 26.9%
    Floral 24.79%
    Linden 22.08%
    Opoponax 22.06%
    Fruity 22.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    10.55 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    120°C

    Flash point

    • 11.42 ˚C est.

  • Synonyms

    • 3-Methyl-2-heptene
    • 3404-75-9
    • 2-Heptene, 3-methyl-
    • 3-methylhept-2-ene
    • DTXSID401015848
    • 3Methyl2heptene
    • RefChem:87254
    • DTXCID001474002
    • OFKLSPUVNMOIJB-UHFFFAOYSA-N
    • OFKLSPUVNMOIJB-VMPITWQZSA-N
    • (E)-3-Methylhept-2-ene
    • MFCD00143174
    • (2E)-3-Methyl-2-heptene
    • 3-Methyl-2-heptene #
    • (2E)-3-methylhept-2-ene
    • 3-methyl-hept-2-ene
    • 2-Heptene, 3-methyl-, (E)-
    • trans-3-methyl-hept-2-ene
    • SCHEMBL56287
    • SCHEMBL962044
    • SCHEMBL1016095
    • SCHEMBL6396963
    • SCHEMBL8707961
    • DTXSID501350697
    • T72329
    • 22768-20-3
    • 3404-75-9

  • Applications

    2-Heptene, 3-methyl- (CAS 3404-75-9) is a branched internal olefin used primarily as an organic-synthesis intermediate to access downstream chemicals. It can serve as a fragrance precursor or odor-active component in perfumery, and may be oxidized, hydroformylated, or hydrogenated to yield alcohols, aldehydes, or other functionalized intermediates. It is also encountered as a hydrocarbon solvent or diluent in coatings, inks, and cleaning formulations, subject to formulation limits and local regulations. In industrial manufacturing, it may be evaluated for use in specialty polymers or as a building block for additional chemical products. In research and development settings, it is often used as a model substrate for reaction development and purification studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 593.02
    methanol 198.01
    isopropanol 734.46
    water 0.03
    ethyl acetate 853.83
    n-propanol 678.31
    acetone 645.28
    n-butanol 948.38
    acetonitrile 476.41
    DMF 304.86
    toluene 903.23
    isobutanol 597.49
    1,4-dioxane 1525.03
    methyl acetate 534.78
    THF 2399.7
    2-butanone 819.3
    n-pentanol 656.85
    sec-butanol 998.38
    n-hexane 1636.49
    ethylene glycol 34.56
    NMP 378.33
    cyclohexane 1875.86
    DMSO 437.37
    n-butyl acetate 2384.75
    n-octanol 830.97
    chloroform 1805.51
    n-propyl acetate 595.42
    acetic acid 198.64
    dichloromethane 1346.36
    cyclohexanone 1225.05
    propylene glycol 109.66
    isopropyl acetate 604.45
    DMAc 324.35
    2-ethoxyethanol 365.64
    isopentanol 909.16
    n-heptane 3071.0
    ethyl formate 285.04
    1,2-dichloroethane 913.07
    n-hexanol 2211.48
    2-methoxyethanol 415.83
    isobutyl acetate 433.24
    tetrachloromethane 568.86
    n-pentyl acetate 809.69
    transcutol 1569.97
    n-heptanol 795.95
    ethylbenzene 527.82
    MIBK 599.63
    2-propoxyethanol 1135.7
    tert-butanol 1167.09
    MTBE 1711.3
    2-butoxyethanol 601.96
    propionic acid 262.33
    o-xylene 508.49
    formic acid 17.11
    diethyl ether 1823.31
    m-xylene 577.49
    p-xylene 569.92
    chlorobenzene 632.66
    dimethyl carbonate 88.04
    n-octane 667.43
    formamide 29.2
    cyclopentanone 949.99
    2-pentanone 856.38
    anisole 541.91
    cyclopentyl methyl ether 1388.99
    gamma-butyrolactone 661.55
    1-methoxy-2-propanol 516.09
    pyridine 1156.82
    3-pentanone 609.11
    furfural 459.73
    n-dodecane 306.28
    diethylene glycol 296.79
    diisopropyl ether 722.85
    tert-amyl alcohol 1219.16
    acetylacetone 513.05
    n-hexadecane 346.81
    acetophenone 344.61
    methyl propionate 414.74
    isopentyl acetate 1714.32
    trichloroethylene 1181.8
    n-nonanol 732.05
    cyclohexanol 1043.45
    benzyl alcohol 285.8
    2-ethylhexanol 2081.41
    isooctanol 668.72
    dipropyl ether 3102.62
    1,2-dichlorobenzene 514.3
    ethyl lactate 159.19
    propylene carbonate 461.85
    n-methylformamide 109.84
    2-pentanol 951.96
    n-pentane 1249.83
    1-propoxy-2-propanol 1411.16
    1-methoxy-2-propyl acetate 831.51
    2-(2-methoxypropoxy) propanol 548.69
    mesitylene 397.95
    ε-caprolactone 953.2
    p-cymene 773.87
    epichlorohydrin 959.45
    1,1,1-trichloroethane 1371.23
    2-aminoethanol 114.73
    morpholine-4-carbaldehyde 493.37
    sulfolane 630.16
    2,2,4-trimethylpentane 411.17
    2-methyltetrahydrofuran 2422.17
    n-hexyl acetate 1050.04
    isooctane 382.84
    2-(2-butoxyethoxy)ethanol 751.81
    sec-butyl acetate 454.42
    tert-butyl acetate 689.72
    decalin 532.44
    glycerin 92.67
    diglyme 1220.21
    acrylic acid 141.51
    isopropyl myristate 511.25
    n-butyric acid 645.35
    acetyl acetate 351.83
    di(2-ethylhexyl) phthalate 288.29
    ethyl propionate 477.64
    nitromethane 246.34
    1,2-diethoxyethane 1665.97
    benzonitrile 537.97
    trioctyl phosphate 272.66
    1-bromopropane 1883.64
    gamma-valerolactone 786.35
    n-decanol 544.35
    triethyl phosphate 352.58
    4-methyl-2-pentanol 584.34
    propionitrile 676.73
    vinylene carbonate 311.74
    1,1,2-trichlorotrifluoroethane 391.77
    DMS 284.94
    cumene 366.74
    2-octanol 671.53
    2-hexanone 814.21
    octyl acetate 573.95
    limonene 1538.99
    1,2-dimethoxyethane 1000.18
    ethyl orthosilicate 424.19
    tributyl phosphate 321.55
    diacetone alcohol 547.51
    N,N-dimethylaniline 384.34
    acrylonitrile 424.18
    aniline 515.32
    1,3-propanediol 224.96
    bromobenzene 865.73
    dibromomethane 1453.73
    1,1,2,2-tetrachloroethane 1130.7
    2-methyl-cyclohexyl acetate 759.53
    tetrabutyl urea 400.79
    diisobutyl methanol 1011.35
    2-phenylethanol 615.72
    styrene 578.78
    dioctyl adipate 497.75
    dimethyl sulfate 108.36
    ethyl butyrate 1274.85
    methyl lactate 118.77
    butyl lactate 371.8
    diethyl carbonate 577.96
    propanediol butyl ether 361.37
    triethyl orthoformate 856.82
    p-tert-butyltoluene 714.07
    methyl 4-tert-butylbenzoate 432.97
    morpholine 1604.19
    tert-butylamine 1249.56
    n-dodecanol 452.79
    dimethoxymethane 394.57
    ethylene carbonate 332.84
    cyrene 249.82
    2-ethoxyethyl acetate 637.7
    2-ethylhexyl acetate 1573.34
    1,2,4-trichlorobenzene 542.11
    4-methylpyridine 1102.18
    dibutyl ether 1999.34
    2,6-dimethyl-4-heptanol 1011.35
    DEF 636.19
    dimethyl isosorbide 766.12
    tetrachloroethylene 685.11
    eugenol 341.02
    triacetin 452.03
    span 80 677.3
    1,4-butanediol 92.44
    1,1-dichloroethane 1222.92
    2-methyl-1-pentanol 672.55
    methyl formate 78.96
    2-methyl-1-butanol 836.35
    n-decane 598.29
    butyronitrile 1096.69
    3,7-dimethyl-1-octanol 935.02
    1-chlorooctane 987.39
    1-chlorotetradecane 383.02
    n-nonane 734.99
    undecane 404.91
    tert-butylcyclohexane 533.81
    cyclooctane 812.71
    cyclopentanol 784.26
    tetrahydropyran 2842.13
    tert-amyl methyl ether 1249.79
    2,5,8-trioxanonane 811.04
    1-hexene 2315.19
    2-isopropoxyethanol 387.91
    2,2,2-trifluoroethanol 35.25
    methyl butyrate 608.38

    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