2,3-Dimethyl-1,3-butadiene

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  • Identifiers

    CAS number
    513-81-5

    Molecular formula
    C6H10

    SMILES
    CC(=C)C(=C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Herbal 55.3%
    Mint 39.99%
    Terpenic 39.98%
    Camphoreous 39.87%
    Citrus 34.4%
    Gassy 33.14%
    Fresh 32.51%
    Woody 30.67%
    Pine 29.14%
    Spicy 28.48%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    82.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    61°C

    Flash point est.
    -27.53 ˚C

  • Synonyms

    • 2,3-DIMETHYL-1,3-BUTADIENE
    • 513-81-5
    • 2,3-Dimethylbuta-1,3-diene
    • Biisopropenyl
    • 2,3-Dimethylbutadiene
    • Diisopropenyl
    • 2,3-Dimethylenebutane
    • 1,3-Butadiene, 2,3-dimethyl-
    • dimethylbutadiene
    • UNII-61TUU25HCO
    • NSC 8656
    • EINECS 208-172-0
    • 61TUU25HCO
    • NSC-8656
    • 2,3-dimethyl-buta-1,3-diene
    • DTXSID2022046
    • CH2=C(CH3)C(CH3)=CH2
    • 2,3-DIMETHYLBUTA-1,2-DIENE
    • 2,3-DIMETHYL-1,3-BUTADIENE [MI]
    • 2 3-DIMETHYL-1 3-BUTADIENE-D10 98 ATOM
    • .BETA.,.GAMMA.-DIMETHYL-.DELTA.-.ALPHA.,.GAMMA.-BUTADIENE
    • 2,3dimethylbutadiene
    • MFCD00008595
    • 2,3Dimethylenebutane
    • 2,3-diene
    • 2,3-dimethyl butadiene
    • 2,3Dimethylbuta1,3diene
    • 1,3Butadiene, 2,3dimethyl
    • DTXCID802046
    • NSC8656
    • 2,3-DM-B
    • AKOS015966171
    • FD166678
    • beta, gammaDimethyldeltaalpha,gammabutadiene
    • D1148
    • NS00032265
    • EN300-77977
    • F14891
    • 2,3-Dimethyl-1,3-butadiene, analytical standard
    • A828563
    • 2,3-Dimethyl-1,3-butadiene (stabilized with BHT)
    • 2,3-Dimethyl-1,3-butadiene - Stabilized with BHT
    • Q3597985
    • BETA,GAMMA-DIMETHYL-.DELTA-ALPHA.,GAMMA-BUTADIENE
    • 2,3-Dimethyl-1,3-butadiene, contains 100 ppm BHT as stabilizer
    • 2,3-Dimethyl-1,3-butadiene, 98%, contains 100 ppm BHT as stabilizer
    • 25034-65-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 182.53
    methanol 154.67
    isopropanol 151.63
    water 0.82
    ethyl acetate 297.31
    n-propanol 173.57
    acetone 146.39
    n-butanol 183.68
    acetonitrile 192.63
    DMF 172.96
    toluene 150.07
    isobutanol 110.02
    1,4-dioxane 321.51
    methyl acetate 245.56
    THF 393.24
    2-butanone 248.31
    n-pentanol 141.4
    sec-butanol 197.91
    n-hexane 157.03
    ethylene glycol 23.13
    NMP 193.64
    cyclohexane 89.52
    DMSO 96.15
    n-butyl acetate 220.97
    n-octanol 116.76
    chloroform 566.94
    n-propyl acetate 139.37
    acetic acid 99.15
    dichloromethane 373.85
    cyclohexanone 180.07
    propylene glycol 48.66
    isopropyl acetate 180.8
    DMAc 275.29
    2-ethoxyethanol 147.02
    isopentanol 140.89
    n-heptane 143.19
    ethyl formate 105.28
    1,2-dichloroethane 191.6
    n-hexanol 211.37
    2-methoxyethanol 180.77
    isobutyl acetate 90.05
    tetrachloromethane 167.46
    n-pentyl acetate 147.43
    transcutol 387.88
    n-heptanol 125.86
    ethylbenzene 128.05
    MIBK 125.29
    2-propoxyethanol 232.04
    tert-butanol 192.0
    MTBE 284.85
    2-butoxyethanol 164.81
    propionic acid 123.49
    o-xylene 130.29
    formic acid 29.05
    diethyl ether 339.32
    m-xylene 118.47
    p-xylene 142.19
    chlorobenzene 142.46
    dimethyl carbonate 65.33
    n-octane 58.31
    formamide 55.68
    cyclopentanone 210.29
    2-pentanone 193.11
    anisole 197.99
    cyclopentyl methyl ether 226.08
    gamma-butyrolactone 197.03
    1-methoxy-2-propanol 178.03
    pyridine 273.56
    3-pentanone 201.02
    furfural 181.56
    n-dodecane 34.31
    diethylene glycol 94.42
    diisopropyl ether 137.29
    tert-amyl alcohol 236.62
    acetylacetone 143.98
    n-hexadecane 36.83
    acetophenone 143.69
    methyl propionate 193.0
    isopentyl acetate 183.24
    trichloroethylene 333.53
    n-nonanol 118.56
    cyclohexanol 119.88
    benzyl alcohol 97.49
    2-ethylhexanol 165.86
    isooctanol 101.09
    dipropyl ether 300.27
    1,2-dichlorobenzene 128.5
    ethyl lactate 66.56
    propylene carbonate 129.38
    n-methylformamide 92.78
    2-pentanol 171.42
    n-pentane 116.43
    1-propoxy-2-propanol 221.31
    1-methoxy-2-propyl acetate 190.5
    2-(2-methoxypropoxy) propanol 162.49
    mesitylene 82.54
    ε-caprolactone 197.74
    p-cymene 112.46
    epichlorohydrin 249.8
    1,1,1-trichloroethane 325.73
    2-aminoethanol 66.3
    morpholine-4-carbaldehyde 202.14
    sulfolane 144.66
    2,2,4-trimethylpentane 65.25
    2-methyltetrahydrofuran 353.38
    n-hexyl acetate 182.01
    isooctane 44.56
    2-(2-butoxyethoxy)ethanol 201.05
    sec-butyl acetate 132.07
    tert-butyl acetate 188.6
    decalin 69.08
    glycerin 46.35
    diglyme 316.66
    acrylic acid 94.05
    isopropyl myristate 111.59
    n-butyric acid 167.72
    acetyl acetate 151.71
    di(2-ethylhexyl) phthalate 71.67
    ethyl propionate 170.16
    nitromethane 150.8
    1,2-diethoxyethane 289.54
    benzonitrile 116.39
    trioctyl phosphate 52.53
    1-bromopropane 245.59
    gamma-valerolactone 223.92
    n-decanol 91.55
    triethyl phosphate 98.44
    4-methyl-2-pentanol 101.73
    propionitrile 201.79
    vinylene carbonate 111.21
    1,1,2-trichlorotrifluoroethane 156.56
    DMS 114.45
    cumene 98.34
    2-octanol 96.74
    2-hexanone 153.15
    octyl acetate 130.42
    limonene 150.56
    1,2-dimethoxyethane 254.9
    ethyl orthosilicate 111.11
    tributyl phosphate 65.54
    diacetone alcohol 153.75
    N,N-dimethylaniline 158.03
    acrylonitrile 180.93
    aniline 144.48
    1,3-propanediol 87.92
    bromobenzene 155.25
    dibromomethane 293.02
    1,1,2,2-tetrachloroethane 305.08
    2-methyl-cyclohexyl acetate 151.97
    tetrabutyl urea 76.95
    diisobutyl methanol 109.9
    2-phenylethanol 144.58
    styrene 138.8
    dioctyl adipate 112.17
    dimethyl sulfate 71.83
    ethyl butyrate 213.52
    methyl lactate 74.43
    butyl lactate 88.77
    diethyl carbonate 136.58
    propanediol butyl ether 93.63
    triethyl orthoformate 167.73
    p-tert-butyltoluene 115.52
    methyl 4-tert-butylbenzoate 159.86
    morpholine 345.36
    tert-butylamine 173.38
    n-dodecanol 72.6
    dimethoxymethane 146.23
    ethylene carbonate 98.35
    cyrene 93.05
    2-ethoxyethyl acetate 181.04
    2-ethylhexyl acetate 171.96
    1,2,4-trichlorobenzene 152.44
    4-methylpyridine 234.87
    dibutyl ether 205.88
    2,6-dimethyl-4-heptanol 109.9
    DEF 225.07
    dimethyl isosorbide 231.27
    tetrachloroethylene 210.3
    eugenol 131.17
    triacetin 146.62
    span 80 149.41
    1,4-butanediol 36.29
    1,1-dichloroethane 274.72
    2-methyl-1-pentanol 139.3
    methyl formate 53.44
    2-methyl-1-butanol 150.5
    n-decane 59.47
    butyronitrile 186.47
    3,7-dimethyl-1-octanol 124.32
    1-chlorooctane 126.39
    1-chlorotetradecane 59.07
    n-nonane 60.64
    undecane 43.25
    tert-butylcyclohexane 74.89
    cyclooctane 55.75
    cyclopentanol 118.91
    tetrahydropyran 322.91
    tert-amyl methyl ether 269.81
    2,5,8-trioxanonane 231.37
    1-hexene 244.57
    2-isopropoxyethanol 119.22
    2,2,2-trifluoroethanol 44.87
    methyl butyrate 170.12

    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
Litsea pungens (China) Litsea pungens Hemsl., fam. Lauraceae 0.25%