2,6-Dimethyl-2,4,6-octatriene

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  • Identifiers

    CAS number
    673-84-7

    Molecular formula
    C10H16

    SMILES
    C/C=C(\C)/C=C/C=C(C)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Herbal 73.01%
    Sweet 70.63%
    Floral 70.08%
    Citrus 64.27%
    Tropical 58.51%
    Terpenic 57.13%
    Woody 57.07%
    Fresh 54.32%
    Lemon 54.04%
    Green 47.76%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    179°C

    Flash point est.
    49.73 ˚C

  • Synonyms

    • Alloocimene
    • 673-84-7
    • 2,6-Dimethyl-2,4,6-octatriene
    • ALLO-OCIMENE
    • 3016-19-1
    • (4E,6E)-2,6-dimethylocta-2,4,6-triene
    • (4E,6E)-Alloocimene
    • trans,trans-Alloocimene
    • (4E,6E)-Allocimene
    • (E,E)-2,6-Dimethyl-2,4,6-octatriene
    • 2,4,6-Octatriene, 2,6-dimethyl-, (4E,6E)-
    • 2,4,6-Octatriene, 2,6-dimethyl-
    • 2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-
    • trans-Alloocimene
    • Alloocimene, (4E,6E)-
    • 6TF53L340E
    • 2,6-Dimethyl-2,4E,6E-octatriene
    • (E,E)-2,6-Dimethylocta-2,4,6-triene
    • DTXCID50196508
    • Allocymene
    • OCIMENE, ALLO
    • CAS-673-84-7
    • EINECS 211-614-5
    • EINECS 221-153-1
    • DTXSID4027288
    • NSC 406263
    • UNII-6TF53L340E
    • AI3-00737
    • Alloocimene I
    • NSC406263
    • ocimene (allo-)
    • Z-Neo-allo-ocimene
    • (4E,6Z)-2,6-Dimethyl-2,4,6-octatriene
    • (4E,6Z)-2,6-dimethylocta-2,4,6-triene
    • (E,E)-allo-ocimene
    • ALLOOCIMENE A
    • trans,trans-allo-ocimene
    • UNII-J9D0BS5BZN
    • (4E,6E)-allo-ocimene
    • J9D0BS5BZN
    • (E,E)-ALLOOCIMENE
    • OCIMENE, A110
    • 4-trans-6-trans-alloocimene
    • CHEMBL2268552
    • CHEBI:90064
    • DTXSID00883936
    • CHEBI:141222
    • Tox21_202278
    • Tox21_303244
    • BBL027750
    • LMFA11000042
    • STL146333
    • AKOS005720971
    • AKOS040744565
    • FD34369
    • NSC-406263
    • NCGC00249203-01
    • NCGC00257015-01
    • NCGC00259827-01
    • VS-08587
    • 2,6-Dimethyl-octa-2,4,6-triene, trans
    • 2,6-Octatriene, 2,6-dimethyl- (VAN8C
    • 2,6-dimethyl-octa-2,4trans,6trans-triene
    • 2,4,6-Octatriene, 2,6-dimethyl- (VAN)
    • D1277
    • NS00013050
    • 2,6-Dimethyl-2,4,6-octatriene, mixture of isomers
    • Q15628365
    • 2,6-Dimethyl-2,4,6-octatriene, technical grade, 80%

  • Applications

    2,6‑Dimethyl‑2,4,6‑octatriene (CAS 673‑84‑7) is a conjugated triene hydrocarbon in the monoterpenoid family, used as a synthetic building block to construct cyclohexene/cyclohexane frameworks via Diels–Alder reactions, hydroboration–oxidation, epoxidation, and other electrophilic additions; as a starting material to access terpene derivatives and fragrance‑like alcohols/epoxides/aldehydes (aroma precursors) in research, as well as an intermediate toward candidate pharmaceuticals or agrochemicals at the discovery stage; as a highly unsaturated mono/co‑monomer for UV‑curable materials, functional resins, and polymer networks via free‑radical additions or ring‑closing processes; as a reference/internal standard for GC/GC–MS and studies of VOC behavior, including atmospheric oxidation kinetics, photoisomerization, and secondary ozone/aerosol formation mechanisms; as a model substrate to probe radical additions (thiol–ene), hydrosilylation, and antioxidant radical‑scavenging performance; and as a target in toxicology, biodegradation, and odor‑impact assessments in product safety; its use is typically confined to research and intermediate manufacturing, with attention to purity, geometric isomer content, and safe handling.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 257.36
    methanol 129.21
    isopropanol 220.24
    water 0.1
    ethyl acetate 476.48
    n-propanol 231.85
    acetone 268.63
    n-butanol 354.59
    acetonitrile 193.07
    DMF 175.84
    toluene 515.54
    isobutanol 182.87
    1,4-dioxane 898.27
    methyl acetate 255.05
    THF 1231.33
    2-butanone 349.57
    n-pentanol 265.8
    sec-butanol 313.4
    n-hexane 896.64
    ethylene glycol 20.5
    NMP 286.26
    cyclohexane 820.15
    DMSO 171.86
    n-butyl acetate 888.72
    n-octanol 296.15
    chloroform 910.39
    n-propyl acetate 301.78
    acetic acid 124.7
    dichloromethane 602.86
    cyclohexanone 511.29
    propylene glycol 55.96
    isopropyl acetate 355.97
    DMAc 276.68
    2-ethoxyethanol 217.12
    isopentanol 324.84
    n-heptane 1057.35
    ethyl formate 124.35
    1,2-dichloroethane 396.78
    n-hexanol 753.53
    2-methoxyethanol 242.77
    isobutyl acetate 244.57
    tetrachloromethane 239.95
    n-pentyl acetate 323.41
    transcutol 1072.24
    n-heptanol 297.85
    ethylbenzene 348.96
    MIBK 280.18
    2-propoxyethanol 562.59
    tert-butanol 415.44
    MTBE 845.55
    2-butoxyethanol 282.13
    propionic acid 118.02
    o-xylene 305.3
    formic acid 16.88
    diethyl ether 1020.59
    m-xylene 319.14
    p-xylene 367.31
    chlorobenzene 322.08
    dimethyl carbonate 72.09
    n-octane 229.66
    formamide 27.91
    cyclopentanone 402.51
    2-pentanone 393.27
    anisole 424.75
    cyclopentyl methyl ether 753.54
    gamma-butyrolactone 296.13
    1-methoxy-2-propanol 259.77
    pyridine 551.54
    3-pentanone 315.87
    furfural 254.82
    n-dodecane 102.05
    diethylene glycol 159.12
    diisopropyl ether 457.63
    tert-amyl alcohol 486.72
    acetylacetone 292.45
    n-hexadecane 118.1
    acetophenone 263.25
    methyl propionate 240.54
    isopentyl acetate 710.68
    trichloroethylene 593.34
    n-nonanol 299.3
    cyclohexanol 389.94
    benzyl alcohol 165.69
    2-ethylhexanol 713.98
    isooctanol 239.81
    dipropyl ether 1514.36
    1,2-dichlorobenzene 286.37
    ethyl lactate 97.27
    propylene carbonate 230.67
    n-methylformamide 59.14
    2-pentanol 341.05
    n-pentane 517.99
    1-propoxy-2-propanol 609.72
    1-methoxy-2-propyl acetate 545.08
    2-(2-methoxypropoxy) propanol 385.07
    mesitylene 231.32
    ε-caprolactone 435.24
    p-cymene 332.32
    epichlorohydrin 469.33
    1,1,1-trichloroethane 578.94
    2-aminoethanol 63.25
    morpholine-4-carbaldehyde 340.57
    sulfolane 314.62
    2,2,4-trimethylpentane 207.6
    2-methyltetrahydrofuran 1100.54
    n-hexyl acetate 485.39
    isooctane 161.45
    2-(2-butoxyethoxy)ethanol 431.36
    sec-butyl acetate 301.77
    tert-butyl acetate 467.19
    decalin 325.72
    glycerin 56.71
    diglyme 781.96
    acrylic acid 74.93
    isopropyl myristate 283.45
    n-butyric acid 269.75
    acetyl acetate 258.6
    di(2-ethylhexyl) phthalate 182.55
    ethyl propionate 301.29
    nitromethane 139.96
    1,2-diethoxyethane 969.85
    benzonitrile 226.83
    trioctyl phosphate 134.64
    1-bromopropane 660.8
    gamma-valerolactone 400.25
    n-decanol 222.76
    triethyl phosphate 237.88
    4-methyl-2-pentanol 228.23
    propionitrile 231.13
    vinylene carbonate 159.17
    1,1,2-trichlorotrifluoroethane 243.48
    DMS 215.72
    cumene 242.08
    2-octanol 219.86
    2-hexanone 388.9
    octyl acetate 315.6
    limonene 621.49
    1,2-dimethoxyethane 647.54
    ethyl orthosilicate 287.52
    tributyl phosphate 172.42
    diacetone alcohol 310.95
    N,N-dimethylaniline 325.51
    acrylonitrile 154.84
    aniline 281.99
    1,3-propanediol 109.72
    bromobenzene 404.68
    dibromomethane 585.81
    1,1,2,2-tetrachloroethane 621.37
    2-methyl-cyclohexyl acetate 497.84
    tetrabutyl urea 220.45
    diisobutyl methanol 380.03
    2-phenylethanol 318.45
    styrene 374.82
    dioctyl adipate 313.55
    dimethyl sulfate 86.54
    ethyl butyrate 651.17
    methyl lactate 82.02
    butyl lactate 159.96
    diethyl carbonate 347.35
    propanediol butyl ether 176.86
    triethyl orthoformate 528.62
    p-tert-butyltoluene 345.32
    methyl 4-tert-butylbenzoate 298.33
    morpholine 905.16
    tert-butylamine 447.56
    n-dodecanol 182.59
    dimethoxymethane 239.09
    ethylene carbonate 162.55
    cyrene 194.62
    2-ethoxyethyl acetate 342.22
    2-ethylhexyl acetate 731.17
    1,2,4-trichlorobenzene 334.77
    4-methylpyridine 505.9
    dibutyl ether 831.35
    2,6-dimethyl-4-heptanol 380.03
    DEF 366.97
    dimethyl isosorbide 580.03
    tetrachloroethylene 379.5
    eugenol 228.26
    triacetin 307.29
    span 80 392.33
    1,4-butanediol 42.69
    1,1-dichloroethane 441.68
    2-methyl-1-pentanol 309.77
    methyl formate 41.12
    2-methyl-1-butanol 298.63
    n-decane 210.08
    butyronitrile 359.31
    3,7-dimethyl-1-octanol 359.13
    1-chlorooctane 404.15
    1-chlorotetradecane 164.93
    n-nonane 243.6
    undecane 136.67
    tert-butylcyclohexane 295.3
    cyclooctane 411.91
    cyclopentanol 255.29
    tetrahydropyran 1341.29
    tert-amyl methyl ether 751.13
    2,5,8-trioxanonane 563.62
    1-hexene 1095.42
    2-isopropoxyethanol 205.81
    2,2,2-trifluoroethanol 29.22
    methyl butyrate 333.64

    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
Coleonema pulchellum Coleonema pulchellum Williams (C. pulchrum Hook.), fam. Rutaceae 0.13%
Rhanterium Rhanterium epapposum Oliv. 4.27%
Scullcap Scutellaria lateriflora L., fam. Lamiaceae (Labiatae) 0.3%
Sequoia leaf 1 Sequoiadendron giganteum Buchh., fam. Taxodiaceae 0.01%
Yarrow 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 1.41%
Zingiber cassumunar root (Indonesia) 2 Zingiber cassumunar Roxb., fam. Zingiberaceae 0.4%
Basil (Denmark) Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%