6-Methyl-5-methylidenehept-2-ene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    33746-70-2

    Molecular formula
    C9H16

    SMILES
    CC=CCC(=C)C(C)C

    Retention indicies (RI)

    • DB5: 855.5

  • Odor profile

    Herbal 80.06%
    Woody 60.46%
    Citrus 58.48%
    Fresh 51.19%
    Terpenic 49.63%
    Spicy 45.73%
    Green 42.71%
    Lavender 40.57%
    Pine 39.49%
    Lemon 37.24%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.83 (weak base)

    Molecular weight
    124.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    137°C

    Flash point est.
    29.08 ˚C

  • Synonyms

    • 6-Methyl-5-methylidenehept-2-ene
    • 33746-70-2
    • DTXSID00708271
    • DTXCID20659019

  • Applications

    6-Methyl-5-methylidenehept-2-ene (CAS 33746-70-2) is a hydrophobic open-chain diene used mainly as a synthetic intermediate in R&D; its nonconjugated double bonds enable transformations such as hydroboration–oxidation to access diverse alcohols, selective epoxidation, ozonolysis to carbonyl fragments, halogenation/radical additions, and olefin metathesis (notably cross-metathesis) for chain editing and late-stage functionalization; these features make it a versatile building block toward terpene/isoprenoid analogs, fragrance/flavor intermediates, exploratory bioactive scaffolds, and functional materials; it is also investigated as a comonomer or crosslinking handle in radical and thiol–ene UV-curable networks, as a surrogate/standard in combustion kinetics and atmospheric chemistry studies of unsaturated olefins, and as a probe substrate to evaluate catalysts for hydrofunctionalizations (e.g., hydrosilylation, hydrocyanation, hydroformylation); use is typically confined to lab or pilot scale with appropriate controls for safety, purity, and toxicology consistent with the intended end use.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.85
    methanol 95.57
    isopropanol 444.78
    water 0.04
    ethyl acetate 564.23
    n-propanol 383.29
    acetone 406.57
    n-butanol 507.19
    acetonitrile 285.91
    DMF 213.71
    toluene 602.64
    isobutanol 343.4
    1,4-dioxane 942.26
    methyl acetate 374.82
    THF 1590.51
    2-butanone 566.66
    n-pentanol 346.54
    sec-butanol 583.02
    n-hexane 722.46
    ethylene glycol 18.45
    NMP 251.6
    cyclohexane 843.59
    DMSO 264.65
    n-butyl acetate 1262.62
    n-octanol 446.13
    chloroform 1224.75
    n-propyl acetate 337.79
    acetic acid 121.99
    dichloromethane 926.71
    cyclohexanone 707.91
    propylene glycol 72.83
    isopropyl acetate 399.43
    DMAc 264.79
    2-ethoxyethanol 208.81
    isopentanol 502.27
    n-heptane 1262.02
    ethyl formate 186.85
    1,2-dichloroethane 558.31
    n-hexanol 1058.62
    2-methoxyethanol 256.44
    isobutyl acetate 261.05
    tetrachloromethane 358.55
    n-pentyl acetate 441.94
    transcutol 1004.98
    n-heptanol 429.18
    ethylbenzene 348.19
    MIBK 369.99
    2-propoxyethanol 609.72
    tert-butanol 741.3
    MTBE 1021.24
    2-butoxyethanol 347.32
    propionic acid 164.32
    o-xylene 336.03
    formic acid 11.2
    diethyl ether 960.11
    m-xylene 382.41
    p-xylene 393.64
    chlorobenzene 447.73
    dimethyl carbonate 71.85
    n-octane 282.73
    formamide 22.33
    cyclopentanone 634.15
    2-pentanone 519.18
    anisole 397.37
    cyclopentyl methyl ether 785.81
    gamma-butyrolactone 451.72
    1-methoxy-2-propanol 338.26
    pyridine 742.32
    3-pentanone 375.27
    furfural 321.29
    n-dodecane 138.89
    diethylene glycol 164.32
    diisopropyl ether 395.61
    tert-amyl alcohol 745.38
    acetylacetone 358.71
    n-hexadecane 157.34
    acetophenone 262.36
    methyl propionate 281.09
    isopentyl acetate 926.09
    trichloroethylene 823.73
    n-nonanol 399.07
    cyclohexanol 566.57
    benzyl alcohol 197.72
    2-ethylhexanol 914.12
    isooctanol 356.43
    dipropyl ether 1471.58
    1,2-dichlorobenzene 350.94
    ethyl lactate 102.6
    propylene carbonate 314.37
    n-methylformamide 72.79
    2-pentanol 531.49
    n-pentane 550.83
    1-propoxy-2-propanol 744.32
    1-methoxy-2-propyl acetate 545.67
    2-(2-methoxypropoxy) propanol 374.61
    mesitylene 259.65
    ε-caprolactone 562.8
    p-cymene 433.07
    epichlorohydrin 669.4
    1,1,1-trichloroethane 918.45
    2-aminoethanol 64.77
    morpholine-4-carbaldehyde 318.81
    sulfolane 405.56
    2,2,4-trimethylpentane 216.22
    2-methyltetrahydrofuran 1433.07
    n-hexyl acetate 620.01
    isooctane 200.63
    2-(2-butoxyethoxy)ethanol 475.82
    sec-butyl acetate 292.15
    tert-butyl acetate 457.83
    decalin 264.45
    glycerin 60.82
    diglyme 770.74
    acrylic acid 90.84
    isopropyl myristate 317.62
    n-butyric acid 393.07
    acetyl acetate 242.83
    di(2-ethylhexyl) phthalate 200.8
    ethyl propionate 300.39
    nitromethane 160.17
    1,2-diethoxyethane 891.0
    benzonitrile 351.14
    trioctyl phosphate 169.44
    1-bromopropane 977.08
    gamma-valerolactone 506.43
    n-decanol 306.56
    triethyl phosphate 221.82
    4-methyl-2-pentanol 336.95
    propionitrile 393.35
    vinylene carbonate 214.66
    1,1,2-trichlorotrifluoroethane 259.21
    DMS 223.0
    cumene 245.22
    2-octanol 359.18
    2-hexanone 459.73
    octyl acetate 363.51
    limonene 750.89
    1,2-dimethoxyethane 573.7
    ethyl orthosilicate 255.05
    tributyl phosphate 198.43
    diacetone alcohol 367.83
    N,N-dimethylaniline 275.43
    acrylonitrile 256.19
    aniline 355.12
    1,3-propanediol 140.17
    bromobenzene 567.69
    dibromomethane 871.07
    1,1,2,2-tetrachloroethane 722.51
    2-methyl-cyclohexyl acetate 450.12
    tetrabutyl urea 244.86
    diisobutyl methanol 524.57
    2-phenylethanol 385.85
    styrene 380.15
    dioctyl adipate 329.16
    dimethyl sulfate 88.02
    ethyl butyrate 705.74
    methyl lactate 86.45
    butyl lactate 224.98
    diethyl carbonate 355.62
    propanediol butyl ether 237.1
    triethyl orthoformate 473.72
    p-tert-butyltoluene 427.79
    methyl 4-tert-butylbenzoate 328.65
    morpholine 990.67
    tert-butylamine 730.08
    n-dodecanol 249.55
    dimethoxymethane 258.73
    ethylene carbonate 216.56
    cyrene 190.11
    2-ethoxyethyl acetate 393.18
    2-ethylhexyl acetate 840.4
    1,2,4-trichlorobenzene 398.57
    4-methylpyridine 716.22
    dibutyl ether 912.1
    2,6-dimethyl-4-heptanol 524.57
    DEF 370.93
    dimethyl isosorbide 587.12
    tetrachloroethylene 429.74
    eugenol 248.24
    triacetin 317.19
    span 80 418.46
    1,4-butanediol 52.94
    1,1-dichloroethane 782.93
    2-methyl-1-pentanol 379.24
    methyl formate 54.93
    2-methyl-1-butanol 466.03
    n-decane 251.94
    butyronitrile 606.81
    3,7-dimethyl-1-octanol 502.07
    1-chlorooctane 482.23
    1-chlorotetradecane 200.73
    n-nonane 307.21
    undecane 175.88
    tert-butylcyclohexane 273.64
    cyclooctane 375.73
    cyclopentanol 456.55
    tetrahydropyran 1608.27
    tert-amyl methyl ether 707.8
    2,5,8-trioxanonane 540.78
    1-hexene 1079.01
    2-isopropoxyethanol 222.44
    2,2,2-trifluoroethanol 28.08
    methyl butyrate 367.12

    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
Sage, dalmatian (Italy) 3 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.4%
Sage, dalmatian var. Albiflora (USA) 8022-56-8 Salvia officinalis L. var. Albiflora, fam. Lamiaceae (Labiatae) 0.1%
Sage, dalmatian var. Icterina (USA) 8022-56-8 Salvia officinalis L. var. Icterina, fam. Lamiaceae (Labiatae) 0.08%
Sage, dalmatian var. Purpurascens (USA) 8022-56-8 Salvia officinalis L. var. Purpurascens, fam Lamiaceae (Labiatae) 0.1%
Sage, dalmatian var. Rubriflora (USA) 8022-56-8 Salvia officinalis L. var. Rubriflora, fam. Lamiaceae (Labiatae) 0.75%
Sage, dalmatian var. Tricolor (USA) 8022-56-8 Salvia officinalis L. var. Tricolor, fam. Lamiaceae (Labiatae) 0.1%
Sage, dalmatian var. Woodcote Farm (USA) 8022-56-8 Salvia officinalis L. var. Woodcote Farm, fam. Lamiaceae (Labiatae) 0.13%
Sage, dalmatian (Dalmatia) 1 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.7%
Sage, dalmatian (Finland) 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.35%
Sage, dalmatian 3 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Sage, dalmatian (Yugoslavia) 1 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.25%
Sage, dalmatian 1 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.64%
Wormwood (Mugwort) (U.S.A.) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.24%
Sage, dalmatian (Italy) 4 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.3%
Sage, dalmatian (Italy) 5 8022-56-8 Salvia officinalis L. var. angustifolia Ten., fam. Lamiaceae (Labiatae) 0.57%
Sage, dalmatian (Italy) 7 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.4%
Artemisia verlotiorum (France) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.6%
Sage, dalmatian (Serbia-Montenegro) 1a leaf Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.15%
Sage, dalmatian (Serbia-Montenegro) 1b flower 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%