Ethyl linalyl ether

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  • Identifiers

    CAS number
    72845-33-1

    Molecular formula
    C12H22O

    SMILES
    CCOC(C)(CCC=C(C)C)C=C

  • Odor profile

    Floral 82.1%
    Citrus 73.9%
    Fruity 68.72%
    Fresh 62.12%
    Sweet 61.01%
    Rose 52.31%
    Woody 47.3%
    Bergamot 46.75%
    Green 46.08%
    Herbal 45.04%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point est.
    68.98 ˚C

    Solubility expt.

    • Practically insoluble to insoluble in water; soluble in DMSO
    • Sparingly soluble (in ethanol)

  • Synonyms

    • ethyl linalyl ether
    • 3-Ethoxy-3,7-dimethyl-1,6-octadiene
    • linalyl ethyl ether
    • 1,6-Octadiene, 3-ethoxy-3,7-dimethyl-
    • 72845-33-1
    • 3-ethoxy-3,7-dimethylocta-1,6-diene
    • UNII-W8H09IT6ZA
    • W8H09IT6ZA
    • LINALOOL ETHYL ETHER
    • FEMA NO. 4591
    • DTXSID30868190
    • (+/-)-ETHYL LINALYL ETHER
    • ETHYL LINALYL ETHER, (+/)-
    • 3,7-DIMETHYL-3-ETHOXY-1,6-OCTADIENE
    • ETHER, 1,5-DIMETHYL-1-VINYL-4-HEXENYL ETHYL
    • ethyl linalool, AldrichCPR
    • SCHEMBL164899
    • DTXCID90816319
    • CHEBI:188361
    • AKOS006273308
    • NS00121722
    • 3,7-dimethylocta-1,6-dien-3-yl ethyl ether
    • 3,7-dimethyl octa-1,6-dien-3-yl ethyl ether
    • Q27292462
    • 615-854-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2255.28
    methanol 1764.67
    isopropanol 2046.67
    water 1.44
    ethyl acetate 2288.88
    n-propanol 2057.16
    acetone 1160.91
    n-butanol 2691.66
    acetonitrile 887.84
    DMF 874.99
    toluene 1624.29
    isobutanol 1762.6
    1,4-dioxane 3569.89
    methyl acetate 1262.14
    THF 3590.86
    2-butanone 1508.42
    n-pentanol 1949.66
    sec-butanol 2426.44
    n-hexane 2506.67
    ethylene glycol 183.97
    NMP 1167.71
    cyclohexane 2969.58
    DMSO 773.4
    n-butyl acetate 2585.05
    n-octanol 1343.09
    chloroform 4875.22
    n-propyl acetate 1274.63
    acetic acid 1005.93
    dichloromethane 3538.32
    cyclohexanone 2369.71
    propylene glycol 390.81
    isopropyl acetate 1683.35
    DMAc 1328.97
    2-ethoxyethanol 1402.57
    isopentanol 2594.32
    n-heptane 2129.58
    ethyl formate 789.34
    1,2-dichloroethane 1979.16
    n-hexanol 3689.6
    2-methoxyethanol 1626.05
    isobutyl acetate 952.3
    tetrachloromethane 1386.7
    n-pentyl acetate 1343.2
    transcutol 4429.37
    n-heptanol 1279.16
    ethylbenzene 968.19
    MIBK 1056.68
    2-propoxyethanol 2499.63
    tert-butanol 3015.77
    MTBE 4075.44
    2-butoxyethanol 1198.22
    propionic acid 912.53
    o-xylene 1038.14
    formic acid 249.56
    diethyl ether 4241.26
    m-xylene 1058.35
    p-xylene 1125.95
    chlorobenzene 1333.17
    dimethyl carbonate 291.74
    n-octane 510.42
    formamide 270.86
    cyclopentanone 1405.34
    2-pentanone 1566.36
    anisole 1067.81
    cyclopentyl methyl ether 2799.32
    gamma-butyrolactone 1251.72
    1-methoxy-2-propanol 1404.69
    pyridine 1803.39
    3-pentanone 1350.57
    furfural 1061.9
    n-dodecane 262.55
    diethylene glycol 914.34
    diisopropyl ether 1696.29
    tert-amyl alcohol 3042.14
    acetylacetone 1042.64
    n-hexadecane 290.41
    acetophenone 772.83
    methyl propionate 1094.49
    isopentyl acetate 2289.88
    trichloroethylene 2871.88
    n-nonanol 1205.93
    cyclohexanol 2968.21
    benzyl alcohol 745.64
    2-ethylhexanol 2491.25
    isooctanol 999.3
    dipropyl ether 2952.92
    1,2-dichlorobenzene 1085.2
    ethyl lactate 426.03
    propylene carbonate 951.47
    n-methylformamide 432.05
    2-pentanol 2327.98
    n-pentane 1898.45
    1-propoxy-2-propanol 2097.81
    1-methoxy-2-propyl acetate 1597.65
    2-(2-methoxypropoxy) propanol 1112.6
    mesitylene 699.84
    ε-caprolactone 2273.49
    p-cymene 740.1
    epichlorohydrin 1824.88
    1,1,1-trichloroethane 2741.4
    2-aminoethanol 567.91
    morpholine-4-carbaldehyde 1575.76
    sulfolane 1180.91
    2,2,4-trimethylpentane 802.02
    2-methyltetrahydrofuran 4283.57
    n-hexyl acetate 2025.89
    isooctane 533.75
    2-(2-butoxyethoxy)ethanol 1510.86
    sec-butyl acetate 1172.39
    tert-butyl acetate 1768.47
    decalin 943.54
    glycerin 406.75
    diglyme 2347.29
    acrylic acid 511.97
    isopropyl myristate 741.23
    n-butyric acid 1927.28
    acetyl acetate 1082.33
    di(2-ethylhexyl) phthalate 528.73
    ethyl propionate 1101.61
    nitromethane 894.46
    1,2-diethoxyethane 2760.31
    benzonitrile 946.06
    trioctyl phosphate 409.22
    1-bromopropane 2769.62
    gamma-valerolactone 1838.18
    n-decanol 836.33
    triethyl phosphate 584.11
    4-methyl-2-pentanol 1346.21
    propionitrile 1105.63
    vinylene carbonate 783.85
    1,1,2-trichlorotrifluoroethane 1222.06
    DMS 787.07
    cumene 683.54
    2-octanol 992.82
    2-hexanone 1304.39
    octyl acetate 888.11
    limonene 1508.95
    1,2-dimethoxyethane 2370.12
    ethyl orthosilicate 754.09
    tributyl phosphate 554.16
    diacetone alcohol 1160.2
    N,N-dimethylaniline 818.18
    acrylonitrile 720.22
    aniline 1204.53
    1,3-propanediol 952.24
    bromobenzene 1493.86
    dibromomethane 3002.34
    1,1,2,2-tetrachloroethane 2813.22
    2-methyl-cyclohexyl acetate 1263.76
    tetrabutyl urea 630.29
    diisobutyl methanol 1057.68
    2-phenylethanol 1099.85
    styrene 1027.36
    dioctyl adipate 838.04
    dimethyl sulfate 341.62
    ethyl butyrate 1627.42
    methyl lactate 376.3
    butyl lactate 711.63
    diethyl carbonate 902.89
    propanediol butyl ether 899.82
    triethyl orthoformate 1304.06
    p-tert-butyltoluene 721.67
    methyl 4-tert-butylbenzoate 816.99
    morpholine 3888.46
    tert-butylamine 2794.01
    n-dodecanol 629.79
    dimethoxymethane 1018.13
    ethylene carbonate 839.73
    cyrene 654.31
    2-ethoxyethyl acetate 1241.11
    2-ethylhexyl acetate 2118.2
    1,2,4-trichlorobenzene 1258.02
    4-methylpyridine 2068.13
    dibutyl ether 2164.89
    2,6-dimethyl-4-heptanol 1057.68
    DEF 1602.83
    dimethyl isosorbide 1427.99
    tetrachloroethylene 2081.53
    eugenol 664.57
    triacetin 1080.44
    span 80 1111.54
    1,4-butanediol 418.79
    1,1-dichloroethane 2631.62
    2-methyl-1-pentanol 2025.47
    methyl formate 288.49
    2-methyl-1-butanol 2505.1
    n-decane 539.16
    butyronitrile 1704.62
    3,7-dimethyl-1-octanol 1318.69
    1-chlorooctane 1149.62
    1-chlorotetradecane 454.5
    n-nonane 624.98
    undecane 342.78
    tert-butylcyclohexane 897.93
    cyclooctane 1097.04
    cyclopentanol 1693.47
    tetrahydropyran 5290.08
    tert-amyl methyl ether 3031.94
    2,5,8-trioxanonane 1496.59
    1-hexene 3264.69
    2-isopropoxyethanol 1189.75
    2,2,2-trifluoroethanol 274.76
    methyl butyrate 1308.23

    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