Lachnophyllum Ester

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  • Identifiers

    CAS number
    3788-06-5

    Molecular formula
    C11H12O2

    SMILES
    CCCC#CC#C/C=C/C(=O)OC

  • Odor profile

    Sweet 55.62%
    Green 54.88%
    Floral 39.16%
    Spicy 37.94%
    Violet 35.79%
    Leafy 27.31%
    Fresh 26.72%
    Vegetable 25.88%
    Metallic 25.86%
    Fruity 25.62%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    328°C

    Flash point est.
    120.69 ˚C

  • Synonyms

    • Lachnophyllum ester
    • cis-Lachnophyllum ester
    • methyl (E)-dec-2-en-4,6-diynoate
    • LACHNOPHYLLUM ESTER, CIS
    • 3788-06-5
    • 505-01-1
    • 2-Decene-4,6-diynoic acid, methyl ester, (E)-
    • CHEBI:6347
    • DTXSID70191313
    • (E)-2-Decene-4,6-diynoic acid methyl ester
    • (Z)-2-Lachnophyllum ester
    • 2-Decene-4,6-diynoic acid, methyl ester, (Z)-
    • (Z)-Lachnophyllum ester
    • CHEMBL2269913
    • DTXCID80113804
    • methyl(e)-2-decene-4,6-diynoate
    • NSC93043
    • LMFA07010713
    • NSC 93043
    • NSC-93043
    • (e)-2-Decene-4,6-diynoate methyl ester
    • C08453
    • Q27107153

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 727.61
    methanol 980.2
    isopropanol 369.55
    water 0.13
    ethyl acetate 1231.19
    n-propanol 436.13
    acetone 1307.44
    n-butanol 404.77
    acetonitrile 1001.5
    DMF 1838.6
    toluene 404.71
    isobutanol 264.96
    1,4-dioxane 1102.03
    methyl acetate 955.7
    THF 1162.87
    2-butanone 909.8
    n-pentanol 379.43
    sec-butanol 341.44
    n-hexane 49.46
    ethylene glycol 144.83
    NMP 943.96
    cyclohexane 55.1
    DMSO 1907.31
    n-butyl acetate 664.6
    n-octanol 105.63
    chloroform 1864.88
    n-propyl acetate 666.63
    acetic acid 856.14
    dichloromethane 2292.27
    cyclohexanone 906.32
    propylene glycol 177.85
    isopropyl acetate 556.27
    DMAc 1256.36
    2-ethoxyethanol 808.38
    isopentanol 339.47
    n-heptane 18.88
    ethyl formate 507.44
    1,2-dichloroethane 1436.32
    n-hexanol 279.49
    2-methoxyethanol 1194.17
    isobutyl acetate 359.73
    tetrachloromethane 160.15
    n-pentyl acetate 266.82
    transcutol 2316.47
    n-heptanol 97.0
    ethylbenzene 209.91
    MIBK 415.89
    2-propoxyethanol 604.15
    tert-butanol 521.32
    MTBE 571.06
    2-butoxyethanol 284.23
    propionic acid 480.68
    o-xylene 183.04
    formic acid 343.07
    diethyl ether 710.0
    m-xylene 221.71
    p-xylene 227.79
    chlorobenzene 497.75
    dimethyl carbonate 342.0
    n-octane 9.86
    formamide 731.11
    cyclopentanone 1091.16
    2-pentanone 789.51
    anisole 532.7
    cyclopentyl methyl ether 550.01
    gamma-butyrolactone 1192.08
    1-methoxy-2-propanol 742.4
    pyridine 1158.67
    3-pentanone 555.74
    furfural 1192.45
    n-dodecane 9.74
    diethylene glycol 502.88
    diisopropyl ether 159.73
    tert-amyl alcohol 438.61
    acetylacetone 1066.75
    n-hexadecane 11.67
    acetophenone 519.78
    methyl propionate 809.05
    isopentyl acetate 486.61
    trichloroethylene 2788.52
    n-nonanol 96.9
    cyclohexanol 326.9
    benzyl alcohol 406.0
    2-ethylhexanol 168.32
    isooctanol 86.92
    dipropyl ether 223.11
    1,2-dichlorobenzene 440.01
    ethyl lactate 231.07
    propylene carbonate 577.12
    n-methylformamide 835.43
    2-pentanol 274.22
    n-pentane 32.35
    1-propoxy-2-propanol 390.71
    1-methoxy-2-propyl acetate 566.56
    2-(2-methoxypropoxy) propanol 353.39
    mesitylene 126.34
    ε-caprolactone 756.39
    p-cymene 88.62
    epichlorohydrin 1607.31
    1,1,1-trichloroethane 928.41
    2-aminoethanol 288.65
    morpholine-4-carbaldehyde 1114.51
    sulfolane 1253.79
    2,2,4-trimethylpentane 24.45
    2-methyltetrahydrofuran 857.17
    n-hexyl acetate 363.84
    isooctane 19.9
    2-(2-butoxyethoxy)ethanol 490.68
    sec-butyl acetate 404.95
    tert-butyl acetate 590.5
    decalin 42.54
    glycerin 286.03
    diglyme 1098.81
    acrylic acid 454.6
    isopropyl myristate 128.7
    n-butyric acid 638.38
    acetyl acetate 698.26
    di(2-ethylhexyl) phthalate 126.02
    ethyl propionate 544.27
    nitromethane 2022.62
    1,2-diethoxyethane 684.77
    benzonitrile 528.7
    trioctyl phosphate 80.75
    1-bromopropane 621.73
    gamma-valerolactone 1360.16
    n-decanol 71.9
    triethyl phosphate 173.96
    4-methyl-2-pentanol 147.72
    propionitrile 583.76
    vinylene carbonate 597.67
    1,1,2-trichlorotrifluoroethane 1131.51
    DMS 432.8
    cumene 119.84
    2-octanol 76.48
    2-hexanone 575.12
    octyl acetate 158.85
    limonene 129.09
    1,2-dimethoxyethane 1272.13
    ethyl orthosilicate 165.52
    tributyl phosphate 136.94
    diacetone alcohol 583.3
    N,N-dimethylaniline 302.04
    acrylonitrile 886.42
    aniline 472.63
    1,3-propanediol 435.95
    bromobenzene 592.2
    dibromomethane 1293.2
    1,1,2,2-tetrachloroethane 1850.8
    2-methyl-cyclohexyl acetate 270.14
    tetrabutyl urea 178.08
    diisobutyl methanol 99.27
    2-phenylethanol 308.97
    styrene 317.86
    dioctyl adipate 215.01
    dimethyl sulfate 543.77
    ethyl butyrate 423.28
    methyl lactate 305.82
    butyl lactate 222.1
    diethyl carbonate 310.89
    propanediol butyl ether 271.44
    triethyl orthoformate 252.11
    p-tert-butyltoluene 84.46
    methyl 4-tert-butylbenzoate 272.25
    morpholine 1343.03
    tert-butylamine 276.07
    n-dodecanol 56.29
    dimethoxymethane 981.29
    ethylene carbonate 448.0
    cyrene 327.72
    2-ethoxyethyl acetate 513.61
    2-ethylhexyl acetate 381.33
    1,2,4-trichlorobenzene 530.88
    4-methylpyridine 1091.88
    dibutyl ether 218.21
    2,6-dimethyl-4-heptanol 99.27
    DEF 986.99
    dimethyl isosorbide 540.25
    tetrachloroethylene 1043.45
    eugenol 319.28
    triacetin 400.02
    span 80 269.56
    1,4-butanediol 182.86
    1,1-dichloroethane 1115.61
    2-methyl-1-pentanol 340.14
    methyl formate 571.24
    2-methyl-1-butanol 306.77
    n-decane 14.79
    butyronitrile 573.69
    3,7-dimethyl-1-octanol 132.87
    1-chlorooctane 89.64
    1-chlorotetradecane 37.94
    n-nonane 13.78
    undecane 11.73
    tert-butylcyclohexane 42.41
    cyclooctane 16.87
    cyclopentanol 285.05
    tetrahydropyran 885.51
    tert-amyl methyl ether 427.31
    2,5,8-trioxanonane 668.4
    1-hexene 229.21
    2-isopropoxyethanol 481.89
    2,2,2-trifluoroethanol 233.43
    methyl butyrate 705.21

    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
Conyza sumatrensis Conyza sumatrensis (Retz) Walk, fam. Asteraceae (Compositaceae) 43.7%