Allyl benzyl ether

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  • Identifiers

    CAS number
    14593-43-2

    Molecular formula
    C10H12O

    SMILES
    C=CCOCC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 83.72%
    Green 61.19%
    Floral 47.92%
    Sweet 46.0%
    Almond 41.04%
    Cherry 38.92%
    Spicy 36.85%
    Herbal 36.09%
    Fresh 35.57%
    Ethereal 33.0%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point est.
    76.16 ˚C

  • Synonyms

    • Allyl benzyl ether
    • 14593-43-2
    • ((Allyloxy)methyl)benzene
    • Ether, allyl benzyl
    • alpha-(Allyloxy)toluene
    • prop-2-enoxymethylbenzene
    • Benzyl allyl ether
    • Benzene, [(2-propenyloxy)methyl]-
    • Benzene, [(2-propen-1-yloxy)methyl]-
    • Benzene, ((2-propenyloxy)methyl)-
    • BQZ35CE79E
    • [(prop-2-en-1-yloxy)methyl]benzene
    • MFCD00078288
    • C6H5CH2OCH2CH=CH2
    • DTXSID3074529
    • 3-(BENZYLOXY)-1-PROPENE
    • ((2-PROPEN-1-YLOXY)METHYL)BENZENE
    • Allylbenzyl ether
    • Allyloxymethylbenzene
    • allylbenzylether
    • EINECS 238-638-9
    • allyloxy-methyl-benzene
    • AI3-07338
    • Allyl benzyl ether, 99%
    • UNII-BQZ35CE79E
    • [(Allyloxy)methyl]benzene #
    • SCHEMBL149658
    • CHEMBL3905781
    • DTXCID2034750
    • SCHEMBL13158965
    • BDBM188218
    • PAA59343
    • CS1050
    • AKOS015889627
    • AS-62579
    • SY052476
    • DB-097384
    • A1427
    • CS-0157968
    • NS00024764
    • EN300-92204
    • US9073941, 34
    • Q63408739

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 679.04
    methanol 503.17
    isopropanol 415.15
    water 0.44
    ethyl acetate 1018.83
    n-propanol 510.79
    acetone 396.0
    n-butanol 544.43
    acetonitrile 610.36
    DMF 200.89
    toluene 382.12
    isobutanol 357.16
    1,4-dioxane 1337.26
    methyl acetate 610.63
    THF 948.39
    2-butanone 481.79
    n-pentanol 417.96
    sec-butanol 471.13
    n-hexane 256.18
    ethylene glycol 100.87
    NMP 166.39
    cyclohexane 406.35
    DMSO 501.65
    n-butyl acetate 893.16
    n-octanol 191.76
    chloroform 2006.96
    n-propyl acetate 566.55
    acetic acid 658.06
    dichloromethane 1853.91
    cyclohexanone 569.18
    propylene glycol 154.12
    isopropyl acetate 421.25
    DMAc 249.99
    2-ethoxyethanol 526.3
    isopentanol 425.57
    n-heptane 287.25
    ethyl formate 394.68
    1,2-dichloroethane 1124.37
    n-hexanol 611.52
    2-methoxyethanol 602.49
    isobutyl acetate 344.35
    tetrachloromethane 247.27
    n-pentyl acetate 269.24
    transcutol 2234.68
    n-heptanol 198.22
    ethylbenzene 244.71
    MIBK 271.35
    2-propoxyethanol 637.1
    tert-butanol 505.48
    MTBE 549.52
    2-butoxyethanol 315.71
    propionic acid 388.6
    o-xylene 205.98
    formic acid 111.03
    diethyl ether 1162.9
    m-xylene 216.37
    p-xylene 252.48
    chlorobenzene 450.25
    dimethyl carbonate 155.31
    n-octane 65.17
    formamide 157.04
    cyclopentanone 392.57
    2-pentanone 436.71
    anisole 435.93
    cyclopentyl methyl ether 501.73
    gamma-butyrolactone 511.47
    1-methoxy-2-propanol 420.4
    pyridine 922.82
    3-pentanone 343.6
    furfural 570.61
    n-dodecane 39.5
    diethylene glycol 373.21
    diisopropyl ether 274.53
    tert-amyl alcohol 443.93
    acetylacetone 399.27
    n-hexadecane 44.1
    acetophenone 322.27
    methyl propionate 436.18
    isopentyl acetate 617.09
    trichloroethylene 1637.76
    n-nonanol 176.4
    cyclohexanol 412.93
    benzyl alcohol 280.32
    2-ethylhexanol 454.29
    isooctanol 171.69
    dipropyl ether 856.7
    1,2-dichlorobenzene 369.05
    ethyl lactate 203.02
    propylene carbonate 433.05
    n-methylformamide 175.37
    2-pentanol 398.42
    n-pentane 225.05
    1-propoxy-2-propanol 562.09
    1-methoxy-2-propyl acetate 479.54
    2-(2-methoxypropoxy) propanol 338.71
    mesitylene 148.78
    ε-caprolactone 539.96
    p-cymene 180.59
    epichlorohydrin 897.98
    1,1,1-trichloroethane 871.84
    2-aminoethanol 212.0
    morpholine-4-carbaldehyde 441.44
    sulfolane 468.26
    2,2,4-trimethylpentane 75.62
    2-methyltetrahydrofuran 785.19
    n-hexyl acetate 355.67
    isooctane 68.18
    2-(2-butoxyethoxy)ethanol 504.29
    sec-butyl acetate 352.34
    tert-butyl acetate 370.05
    decalin 125.08
    glycerin 173.13
    diglyme 1028.43
    acrylic acid 282.15
    isopropyl myristate 168.9
    n-butyric acid 675.12
    acetyl acetate 480.14
    di(2-ethylhexyl) phthalate 128.62
    ethyl propionate 441.08
    nitromethane 655.03
    1,2-diethoxyethane 923.9
    benzonitrile 350.96
    trioctyl phosphate 92.03
    1-bromopropane 894.52
    gamma-valerolactone 531.81
    n-decanol 135.56
    triethyl phosphate 206.67
    4-methyl-2-pentanol 217.4
    propionitrile 504.49
    vinylene carbonate 405.18
    1,1,2-trichlorotrifluoroethane 530.97
    DMS 272.77
    cumene 162.03
    2-octanol 120.44
    2-hexanone 426.37
    octyl acetate 184.28
    limonene 275.44
    1,2-dimethoxyethane 913.85
    ethyl orthosilicate 223.26
    tributyl phosphate 131.72
    diacetone alcohol 317.45
    N,N-dimethylaniline 250.06
    acrylonitrile 462.35
    aniline 341.65
    1,3-propanediol 324.17
    bromobenzene 520.42
    dibromomethane 1430.58
    1,1,2,2-tetrachloroethane 1308.17
    2-methyl-cyclohexyl acetate 344.53
    tetrabutyl urea 162.89
    diisobutyl methanol 262.32
    2-phenylethanol 307.11
    styrene 334.57
    dioctyl adipate 234.79
    dimethyl sulfate 165.4
    ethyl butyrate 651.22
    methyl lactate 155.83
    butyl lactate 189.18
    diethyl carbonate 433.48
    propanediol butyl ether 239.08
    triethyl orthoformate 414.34
    p-tert-butyltoluene 161.82
    methyl 4-tert-butylbenzoate 238.16
    morpholine 1193.37
    tert-butylamine 421.52
    n-dodecanol 113.03
    dimethoxymethane 394.13
    ethylene carbonate 371.02
    cyrene 210.97
    2-ethoxyethyl acetate 368.53
    2-ethylhexyl acetate 478.66
    1,2,4-trichlorobenzene 383.91
    4-methylpyridine 616.25
    dibutyl ether 494.01
    2,6-dimethyl-4-heptanol 262.32
    DEF 448.46
    dimethyl isosorbide 468.72
    tetrachloroethylene 813.36
    eugenol 240.96
    triacetin 326.37
    span 80 274.5
    1,4-butanediol 147.69
    1,1-dichloroethane 1003.22
    2-methyl-1-pentanol 363.82
    methyl formate 155.72
    2-methyl-1-butanol 409.43
    n-decane 68.5
    butyronitrile 608.91
    3,7-dimethyl-1-octanol 237.36
    1-chlorooctane 208.73
    1-chlorotetradecane 83.19
    n-nonane 75.75
    undecane 49.04
    tert-butylcyclohexane 111.26
    cyclooctane 132.67
    cyclopentanol 285.05
    tetrahydropyran 1346.44
    tert-amyl methyl ether 395.13
    2,5,8-trioxanonane 603.93
    1-hexene 615.31
    2-isopropoxyethanol 374.58
    2,2,2-trifluoroethanol 141.82
    methyl butyrate 570.03

    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