3,5-Dimethylstyrene

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  • Identifiers

    CAS number
    5379-20-4

    Molecular formula
    C10H12

    SMILES
    CC1=CC(=CC(=C1)C=C)C

  • Odor profile

    Green 53.4%
    Woody 45.63%
    Spicy 45.43%
    Herbal 44.03%
    Sweet 43.27%
    Floral 39.86%
    Phenolic 37.54%
    Fruity 28.88%
    Medicinal 28.7%
    Musty 28.3%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point est.
    58.32 ˚C

  • Synonyms

    • 3,5-DIMETHYLSTYRENE
    • 1-Ethenyl-3,5-dimethylbenzene
    • Styrene, 3,5-dimethyl-
    • 5379-20-4
    • Benzene, 1-ethenyl-3,5-dimethyl-
    • 5-Vinyl-m-xylene
    • 1,3-Dimethyl-5-vinylbenzene
    • UNII-AYH9L3Z67Y
    • AYH9L3Z67Y
    • BRN 2203339
    • 1-ETHENYL-3,5-DIMETHYL-BENZENE
    • DIMETHYLSTYRENE, 3,5-
    • DTXSID30202070
    • 3,5-dimethyl-styrene
    • Benzene, 1-ethenyl-3,5-dimethyl- (9CI)
    • DTXCID30124561
    • AKOS013991711
    • Benzene, 1-ethenyl-3,5-dimethyl-(9CI)
    • EN300-388635
    • Q27274190

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 733.84
    methanol 543.74
    isopropanol 687.74
    water 0.28
    ethyl acetate 1514.01
    n-propanol 792.02
    acetone 1756.19
    n-butanol 978.05
    acetonitrile 1019.83
    DMF 1351.14
    toluene 1492.67
    isobutanol 724.1
    1,4-dioxane 3121.65
    methyl acetate 1215.79
    THF 5434.54
    2-butanone 1540.5
    n-pentanol 793.03
    sec-butanol 790.44
    n-hexane 2217.02
    ethylene glycol 83.82
    NMP 1512.26
    cyclohexane 1685.11
    DMSO 1073.9
    n-butyl acetate 2299.87
    n-octanol 886.63
    chloroform 2131.05
    n-propyl acetate 1001.78
    acetic acid 297.9
    dichloromethane 2013.71
    cyclohexanone 2452.38
    propylene glycol 135.89
    isopropyl acetate 1075.18
    DMAc 872.53
    2-ethoxyethanol 621.27
    isopentanol 921.63
    n-heptane 1405.45
    ethyl formate 673.27
    1,2-dichloroethane 1802.62
    n-hexanol 2205.81
    2-methoxyethanol 809.77
    isobutyl acetate 780.0
    tetrachloromethane 658.59
    n-pentyl acetate 904.77
    transcutol 1483.1
    n-heptanol 766.74
    ethylbenzene 880.52
    MIBK 1255.49
    2-propoxyethanol 1811.6
    tert-butanol 1072.5
    MTBE 2083.13
    2-butoxyethanol 719.2
    propionic acid 421.86
    o-xylene 771.05
    formic acid 50.48
    diethyl ether 2924.55
    m-xylene 1112.58
    p-xylene 890.67
    chlorobenzene 1095.21
    dimethyl carbonate 532.14
    n-octane 504.76
    formamide 92.29
    cyclopentanone 2690.01
    2-pentanone 1868.37
    anisole 1124.88
    cyclopentyl methyl ether 3452.19
    gamma-butyrolactone 2172.42
    1-methoxy-2-propanol 909.1
    pyridine 1371.23
    3-pentanone 1406.09
    furfural 1029.13
    n-dodecane 290.77
    diethylene glycol 606.06
    diisopropyl ether 1274.85
    tert-amyl alcohol 951.55
    acetylacetone 1321.5
    n-hexadecane 339.02
    acetophenone 624.18
    methyl propionate 1236.15
    isopentyl acetate 1671.59
    trichloroethylene 2024.95
    n-nonanol 719.63
    cyclohexanol 1252.3
    benzyl alcohol 436.99
    2-ethylhexanol 1561.02
    isooctanol 619.63
    dipropyl ether 2840.39
    1,2-dichlorobenzene 762.7
    ethyl lactate 306.23
    propylene carbonate 1110.75
    n-methylformamide 464.2
    2-pentanol 971.24
    n-pentane 1232.59
    1-propoxy-2-propanol 1506.91
    1-methoxy-2-propyl acetate 1307.07
    2-(2-methoxypropoxy) propanol 566.13
    mesitylene 735.84
    ε-caprolactone 1762.47
    p-cymene 567.04
    epichlorohydrin 2488.63
    1,1,1-trichloroethane 1848.22
    2-aminoethanol 184.79
    morpholine-4-carbaldehyde 1366.07
    sulfolane 2107.68
    2,2,4-trimethylpentane 427.93
    2-methyltetrahydrofuran 3917.29
    n-hexyl acetate 1462.5
    isooctane 463.04
    2-(2-butoxyethoxy)ethanol 851.37
    sec-butyl acetate 743.22
    tert-butyl acetate 1334.36
    decalin 683.57
    glycerin 151.76
    diglyme 1408.9
    acrylic acid 268.64
    isopropyl myristate 638.14
    n-butyric acid 763.87
    acetyl acetate 669.1
    di(2-ethylhexyl) phthalate 328.46
    ethyl propionate 957.39
    nitromethane 709.57
    1,2-diethoxyethane 1637.53
    benzonitrile 641.0
    trioctyl phosphate 357.07
    1-bromopropane 1988.44
    gamma-valerolactone 2125.56
    n-decanol 567.94
    triethyl phosphate 392.29
    4-methyl-2-pentanol 625.91
    propionitrile 1000.95
    vinylene carbonate 761.22
    1,1,2-trichlorotrifluoroethane 632.29
    DMS 726.94
    cumene 558.4
    2-octanol 658.29
    2-hexanone 1347.97
    octyl acetate 759.26
    limonene 1112.58
    1,2-dimethoxyethane 1758.33
    ethyl orthosilicate 442.15
    tributyl phosphate 407.73
    diacetone alcohol 938.39
    N,N-dimethylaniline 696.1
    acrylonitrile 754.02
    aniline 725.88
    1,3-propanediol 338.49
    bromobenzene 1346.79
    dibromomethane 1920.81
    1,1,2,2-tetrachloroethane 1675.92
    2-methyl-cyclohexyl acetate 858.71
    tetrabutyl urea 517.01
    diisobutyl methanol 755.11
    2-phenylethanol 790.49
    styrene 931.1
    dioctyl adipate 570.28
    dimethyl sulfate 650.07
    ethyl butyrate 1297.96
    methyl lactate 322.27
    butyl lactate 424.79
    diethyl carbonate 596.5
    propanediol butyl ether 476.98
    triethyl orthoformate 762.27
    p-tert-butyltoluene 603.32
    methyl 4-tert-butylbenzoate 613.28
    morpholine 2631.62
    tert-butylamine 929.9
    n-dodecanol 473.25
    dimethoxymethane 1745.54
    ethylene carbonate 822.39
    cyrene 468.44
    2-ethoxyethyl acetate 832.49
    2-ethylhexyl acetate 1487.24
    1,2,4-trichlorobenzene 777.7
    4-methylpyridine 1572.14
    dibutyl ether 1801.86
    2,6-dimethyl-4-heptanol 755.11
    DEF 1477.87
    dimethyl isosorbide 1071.0
    tetrachloroethylene 1046.42
    eugenol 479.2
    triacetin 590.82
    span 80 574.05
    1,4-butanediol 176.87
    1,1-dichloroethane 1824.96
    2-methyl-1-pentanol 721.85
    methyl formate 483.3
    2-methyl-1-butanol 895.17
    n-decane 507.84
    butyronitrile 1283.98
    3,7-dimethyl-1-octanol 806.55
    1-chlorooctane 1142.06
    1-chlorotetradecane 461.27
    n-nonane 623.5
    undecane 370.52
    tert-butylcyclohexane 668.33
    cyclooctane 962.52
    cyclopentanol 1151.6
    tetrahydropyran 4123.18
    tert-amyl methyl ether 1622.39
    2,5,8-trioxanonane 891.22
    1-hexene 2911.57
    2-isopropoxyethanol 600.25
    2,2,2-trifluoroethanol 104.31
    methyl butyrate 1142.64

    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
Illicium simonsii fruit (China) Illicium simonsii Maxim., fam. Magnoliaceae (Illiciaceae) 0.67%