1,2-Diethylbenzene

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  • Identifiers

    CAS number
    135-01-3

    Molecular formula
    C10H14

    SMILES
    CCC1=CC=CC=C1CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Gassy 37.16%
    Herbal 37.03%
    Sweet 36.24%
    Spicy 35.88%
    Woody 31.57%
    Citrus 30.44%
    Phenolic 29.44%
    Earthy 28.46%
    Burnt 25.84%
    Fresh 25.33%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.49 (weak base)

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -31.2 °C

    Boiling point

    • 184 °C

    Flash point est.
    57.29 ˚C

    Flash point expt.

    • 57 °C
    • 135 °F (57 °C) (Closed cup)

    Solubility expt.

    • Miscible in ethanol, ethyl ether, and acetone
    • Soluble in alcohol, benzene, carbon tetrachloride, ether. /Diethylbenzene/
    • In water, 71.1 mg/l @ 25 °C.

  • Synonyms

    • 1,2-DIETHYLBENZENE
    • 135-01-3
    • o-Diethylbenzene
    • Benzene, 1,2-diethyl-
    • Benzene, diethyl-
    • Benzene, o-diethyl-
    • 1,2-diethyl-benzene
    • HSDB 4081
    • UNII-25HOX6T1LU
    • EINECS 205-170-1
    • 25HOX6T1LU
    • ortho-Diethylbenzene
    • 1,2-DiethyIbenzene
    • BRN 1904392
    • UN2049
    • DTXSID6052742
    • o-Diethylbenzene;
    • 1,2-DIETHYLBENZENE [HSDB]
    • 4-05-00-01065 (Beilstein Handbook Reference)
    • Diethylbenzol
    • DSSTox_CID_7866
    • DSSTox_RID_78595
    • DSSTox_GSID_27866
    • CAS-25340-17-4
    • 1,2-diethyl benzene
    • MFCD00792900
    • oDiethylbenzene
    • diethyl benzene
    • Benzene, odiethyl
    • Benzene, 1,2-diethyl-; Benzene, o-diethyl- (8CI); 1,2-Diethylbenzene; o-Diethylbenzene
    • 1,x-Diethylbenzene
    • 3,4-diethylbenzene
    • EINECS 246-874-9
    • MFCD00009258
    • DIETHYLBENZENES
    • NSC 405068
    • Benzene, 1,2diethyl
    • BRN 1903396
    • AI3-15336
    • BIDD:ER0356
    • DTXCID507866
    • CHEMBL3186870
    • UNII-9A18Z78Q73
    • AAA13501
    • Tox21_202258
    • Tox21_303467
    • AKOS015888421
    • 9A18Z78Q73
    • NCGC00257453-01
    • NCGC00259807-01
    • 1,2-Diethylbenzene, >=99.0% (GC)
    • LS-13808
    • 1,2-Diethylbenzene, technical grade, 92%
    • DB-042262
    • NS00001325
    • 1,2-Diethylbenzene 100 microg/mL in Methanol
    • Diethylbenzene [UN2049] [Flammable liquid]
    • EC 246-874-9
    • EN300-112423
    • 4-05-00-01067 (Beilstein Handbook Reference)
    • A806866
    • Q2429316

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 311.25
    methanol 288.1
    isopropanol 271.42
    water 0.12
    ethyl acetate 1221.43
    n-propanol 379.98
    acetone 1351.89
    n-butanol 396.41
    acetonitrile 1028.15
    DMF 1416.48
    toluene 1131.77
    isobutanol 297.75
    1,4-dioxane 2843.53
    methyl acetate 1035.45
    THF 3207.7
    2-butanone 1129.85
    n-pentanol 312.9
    sec-butanol 286.43
    n-hexane 793.71
    ethylene glycol 36.55
    NMP 2010.53
    cyclohexane 1026.59
    DMSO 1185.05
    n-butyl acetate 2296.76
    n-octanol 358.87
    chloroform 3082.86
    n-propyl acetate 1106.65
    acetic acid 258.95
    dichloromethane 3765.11
    cyclohexanone 2551.88
    propylene glycol 49.01
    isopropyl acetate 795.13
    DMAc 850.95
    2-ethoxyethanol 379.94
    isopentanol 355.88
    n-heptane 642.42
    ethyl formate 690.71
    1,2-dichloroethane 3063.4
    n-hexanol 641.79
    2-methoxyethanol 498.17
    isobutyl acetate 751.03
    tetrachloromethane 1062.25
    n-pentyl acetate 931.34
    transcutol 1163.34
    n-heptanol 333.95
    ethylbenzene 683.14
    MIBK 753.15
    2-propoxyethanol 773.18
    tert-butanol 391.73
    MTBE 994.73
    2-butoxyethanol 429.95
    propionic acid 327.29
    o-xylene 591.29
    formic acid 40.34
    diethyl ether 1746.42
    m-xylene 707.05
    p-xylene 791.99
    chlorobenzene 1527.14
    dimethyl carbonate 479.14
    n-octane 281.16
    formamide 106.68
    cyclopentanone 2833.23
    2-pentanone 1154.38
    anisole 1053.85
    cyclopentyl methyl ether 1972.12
    gamma-butyrolactone 2649.85
    1-methoxy-2-propanol 403.5
    pyridine 1982.56
    3-pentanone 1133.11
    furfural 1481.13
    n-dodecane 159.89
    diethylene glycol 285.54
    diisopropyl ether 649.92
    tert-amyl alcohol 355.63
    acetylacetone 1146.31
    n-hexadecane 194.61
    acetophenone 768.86
    methyl propionate 943.72
    isopentyl acetate 1389.6
    trichloroethylene 3729.97
    n-nonanol 331.1
    cyclohexanol 595.69
    benzyl alcohol 386.31
    2-ethylhexanol 656.52
    isooctanol 305.67
    dipropyl ether 1736.68
    1,2-dichlorobenzene 1414.75
    ethyl lactate 261.01
    propylene carbonate 1333.01
    n-methylformamide 515.38
    2-pentanol 319.16
    n-pentane 421.34
    1-propoxy-2-propanol 676.21
    1-methoxy-2-propyl acetate 951.96
    2-(2-methoxypropoxy) propanol 388.12
    mesitylene 536.19
    ε-caprolactone 1818.04
    p-cymene 515.1
    epichlorohydrin 2769.2
    1,1,1-trichloroethane 2636.39
    2-aminoethanol 84.64
    morpholine-4-carbaldehyde 1621.61
    sulfolane 2878.8
    2,2,4-trimethylpentane 177.6
    2-methyltetrahydrofuran 2385.43
    n-hexyl acetate 1062.9
    isooctane 175.61
    2-(2-butoxyethoxy)ethanol 520.82
    sec-butyl acetate 677.84
    tert-butyl acetate 956.23
    decalin 430.53
    glycerin 74.41
    diglyme 1227.66
    acrylic acid 264.37
    isopropyl myristate 532.64
    n-butyric acid 601.38
    acetyl acetate 698.12
    di(2-ethylhexyl) phthalate 287.51
    ethyl propionate 997.75
    nitromethane 844.54
    1,2-diethoxyethane 1559.81
    benzonitrile 901.72
    trioctyl phosphate 275.31
    1-bromopropane 1981.3
    gamma-valerolactone 2313.09
    n-decanol 268.23
    triethyl phosphate 513.44
    4-methyl-2-pentanol 222.0
    propionitrile 1006.39
    vinylene carbonate 1167.84
    1,1,2-trichlorotrifluoroethane 834.59
    DMS 766.21
    cumene 430.64
    2-octanol 283.32
    2-hexanone 1118.69
    octyl acetate 588.53
    limonene 876.82
    1,2-dimethoxyethane 1544.07
    ethyl orthosilicate 511.32
    tributyl phosphate 383.07
    diacetone alcohol 561.63
    N,N-dimethylaniline 628.89
    acrylonitrile 1043.77
    aniline 653.52
    1,3-propanediol 167.83
    bromobenzene 2032.74
    dibromomethane 2827.83
    1,1,2,2-tetrachloroethane 2760.47
    2-methyl-cyclohexyl acetate 858.3
    tetrabutyl urea 524.57
    diisobutyl methanol 417.84
    2-phenylethanol 553.58
    styrene 940.29
    dioctyl adipate 576.62
    dimethyl sulfate 726.68
    ethyl butyrate 1436.25
    methyl lactate 246.83
    butyl lactate 389.62
    diethyl carbonate 813.87
    propanediol butyl ether 244.93
    triethyl orthoformate 843.78
    p-tert-butyltoluene 501.97
    methyl 4-tert-butylbenzoate 580.8
    morpholine 2225.73
    tert-butylamine 351.92
    n-dodecanol 234.37
    dimethoxymethane 1229.77
    ethylene carbonate 1109.68
    cyrene 396.69
    2-ethoxyethyl acetate 912.12
    2-ethylhexyl acetate 1372.04
    1,2,4-trichlorobenzene 1309.75
    4-methylpyridine 1787.7
    dibutyl ether 1293.65
    2,6-dimethyl-4-heptanol 417.84
    DEF 1366.7
    dimethyl isosorbide 1058.45
    tetrachloroethylene 2039.45
    eugenol 446.58
    triacetin 606.44
    span 80 374.92
    1,4-butanediol 78.76
    1,1-dichloroethane 2303.13
    2-methyl-1-pentanol 305.69
    methyl formate 520.38
    2-methyl-1-butanol 342.14
    n-decane 275.24
    butyronitrile 947.95
    3,7-dimethyl-1-octanol 373.47
    1-chlorooctane 737.25
    1-chlorotetradecane 321.04
    n-nonane 317.0
    undecane 203.99
    tert-butylcyclohexane 380.1
    cyclooctane 463.18
    cyclopentanol 657.28
    tetrahydropyran 2852.67
    tert-amyl methyl ether 787.99
    2,5,8-trioxanonane 741.12
    1-hexene 1314.5
    2-isopropoxyethanol 314.45
    2,2,2-trifluoroethanol 115.1
    methyl butyrate 1249.85

    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