6-Octenal, 7-methyl-3-methylene-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    55050-40-3

    Molecular formula
    C10H16O

    SMILES
    CC(=CCCC(=C)CC=O)C

    Retention indicies (RI)

    • DB5: 1168.0

  • Odor profile

    Floral 69.95%
    Citrus 64.29%
    Aldehydic 56.08%
    Fresh 52.94%
    Rose 46.56%
    Green 46.45%
    Fruity 43.58%
    Waxy 43.44%
    Sweet 40.21%
    Lemon 39.85%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point est.
    81.55 ˚C

  • Synonyms

    • 6-Octenal, 7-methyl-3-methylene-
    • 55050-40-3
    • 7-Methyl-3-methyleneoct-6-enal
    • 7-methyl-3-methylideneoct-6-enal
    • EINECS 259-457-1
    • exo-Isocitral
    • SCHEMBL8347185
    • DB-307386
    • NS00012920

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1047.6
    methanol 898.46
    isopropanol 708.55
    water 0.94
    ethyl acetate 401.79
    n-propanol 650.1
    acetone 409.16
    n-butanol 654.34
    acetonitrile 350.94
    DMF 342.63
    toluene 199.53
    isobutanol 389.56
    1,4-dioxane 938.33
    methyl acetate 313.57
    THF 975.65
    2-butanone 371.85
    n-pentanol 396.15
    sec-butanol 506.13
    n-hexane 129.56
    ethylene glycol 109.58
    NMP 283.31
    cyclohexane 164.1
    DMSO 313.9
    n-butyl acetate 387.38
    n-octanol 182.59
    chloroform 832.52
    n-propyl acetate 241.64
    acetic acid 451.38
    dichloromethane 522.64
    cyclohexanone 484.49
    propylene glycol 263.24
    isopropyl acetate 230.87
    DMAc 317.84
    2-ethoxyethanol 428.76
    isopentanol 444.42
    n-heptane 104.7
    ethyl formate 227.21
    1,2-dichloroethane 301.59
    n-hexanol 612.92
    2-methoxyethanol 693.54
    isobutyl acetate 169.83
    tetrachloromethane 137.44
    n-pentyl acetate 173.51
    transcutol 1483.31
    n-heptanol 196.43
    ethylbenzene 112.53
    MIBK 194.88
    2-propoxyethanol 650.96
    tert-butanol 736.99
    MTBE 431.56
    2-butoxyethanol 286.62
    propionic acid 323.12
    o-xylene 117.26
    formic acid 129.9
    diethyl ether 533.77
    m-xylene 145.67
    p-xylene 135.02
    chlorobenzene 195.48
    dimethyl carbonate 66.62
    n-octane 27.02
    formamide 135.59
    cyclopentanone 408.44
    2-pentanone 324.5
    anisole 228.49
    cyclopentyl methyl ether 410.69
    gamma-butyrolactone 384.18
    1-methoxy-2-propanol 523.76
    pyridine 470.28
    3-pentanone 206.93
    furfural 378.82
    n-dodecane 17.32
    diethylene glycol 362.33
    diisopropyl ether 136.49
    tert-amyl alcohol 479.53
    acetylacetone 247.02
    n-hexadecane 19.64
    acetophenone 174.06
    methyl propionate 224.38
    isopentyl acetate 332.38
    trichloroethylene 578.59
    n-nonanol 162.03
    cyclohexanol 471.21
    benzyl alcohol 199.52
    2-ethylhexanol 307.34
    isooctanol 149.98
    dipropyl ether 368.03
    1,2-dichlorobenzene 161.88
    ethyl lactate 123.59
    propylene carbonate 253.64
    n-methylformamide 208.91
    2-pentanol 411.79
    n-pentane 111.14
    1-propoxy-2-propanol 523.64
    1-methoxy-2-propyl acetate 321.67
    2-(2-methoxypropoxy) propanol 294.26
    mesitylene 90.71
    ε-caprolactone 421.9
    p-cymene 97.4
    epichlorohydrin 490.17
    1,1,1-trichloroethane 374.13
    2-aminoethanol 317.79
    morpholine-4-carbaldehyde 463.14
    sulfolane 316.85
    2,2,4-trimethylpentane 41.23
    2-methyltetrahydrofuran 729.55
    n-hexyl acetate 269.82
    isooctane 38.26
    2-(2-butoxyethoxy)ethanol 436.05
    sec-butyl acetate 179.33
    tert-butyl acetate 245.9
    decalin 58.25
    glycerin 239.67
    diglyme 678.48
    acrylic acid 211.05
    isopropyl myristate 110.71
    n-butyric acid 529.9
    acetyl acetate 195.08
    di(2-ethylhexyl) phthalate 107.79
    ethyl propionate 191.6
    nitromethane 380.46
    1,2-diethoxyethane 459.34
    benzonitrile 239.98
    trioctyl phosphate 74.61
    1-bromopropane 277.3
    gamma-valerolactone 606.02
    n-decanol 118.54
    triethyl phosphate 111.28
    4-methyl-2-pentanol 202.0
    propionitrile 303.67
    vinylene carbonate 233.12
    1,1,2-trichlorotrifluoroethane 362.66
    DMS 154.07
    cumene 86.43
    2-octanol 121.03
    2-hexanone 263.0
    octyl acetate 134.67
    limonene 173.8
    1,2-dimethoxyethane 625.1
    ethyl orthosilicate 120.9
    tributyl phosphate 100.2
    diacetone alcohol 292.91
    N,N-dimethylaniline 151.19
    acrylonitrile 261.97
    aniline 274.97
    1,3-propanediol 439.55
    bromobenzene 186.61
    dibromomethane 402.0
    1,1,2,2-tetrachloroethane 496.7
    2-methyl-cyclohexyl acetate 208.57
    tetrabutyl urea 119.9
    diisobutyl methanol 177.09
    2-phenylethanol 244.3
    styrene 138.18
    dioctyl adipate 162.03
    dimethyl sulfate 75.78
    ethyl butyrate 277.18
    methyl lactate 120.03
    butyl lactate 157.14
    diethyl carbonate 169.47
    propanediol butyl ether 285.78
    triethyl orthoformate 207.06
    p-tert-butyltoluene 100.04
    methyl 4-tert-butylbenzoate 174.03
    morpholine 1159.91
    tert-butylamine 503.72
    n-dodecanol 90.54
    dimethoxymethane 282.88
    ethylene carbonate 213.03
    cyrene 197.92
    2-ethoxyethyl acetate 233.44
    2-ethylhexyl acetate 256.48
    1,2,4-trichlorobenzene 194.69
    4-methylpyridine 417.08
    dibutyl ether 260.7
    2,6-dimethyl-4-heptanol 177.09
    DEF 295.61
    dimethyl isosorbide 407.38
    tetrachloroethylene 323.7
    eugenol 181.42
    triacetin 224.65
    span 80 287.32
    1,4-butanediol 147.43
    1,1-dichloroethane 393.86
    2-methyl-1-pentanol 279.73
    methyl formate 125.61
    2-methyl-1-butanol 372.13
    n-decane 32.44
    butyronitrile 401.04
    3,7-dimethyl-1-octanol 200.94
    1-chlorooctane 109.09
    1-chlorotetradecane 45.22
    n-nonane 33.66
    undecane 22.47
    tert-butylcyclohexane 58.39
    cyclooctane 48.13
    cyclopentanol 361.12
    tetrahydropyran 1035.13
    tert-amyl methyl ether 292.01
    2,5,8-trioxanonane 439.18
    1-hexene 326.57
    2-isopropoxyethanol 284.95
    2,2,2-trifluoroethanol 93.11
    methyl butyrate 264.38

    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

Botanical

Name CAS Botanical Proportion
Backhousia citriodora Backhousia citriodora F. Muell., fam. Myrtaceae 0.1%