2,3-Dimethylpent-1-ene

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  • Identifiers

    CAS number
    3404-72-6

    Molecular formula
    C7H14

    SMILES
    CCC(C)C(=C)C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 68.92%
    Citrus 55.5%
    Woody 49.03%
    Fresh 48.48%
    Terpenic 47.77%
    Camphoreous 41.64%
    Pine 41.54%
    Lemon 39.34%
    Spicy 38.98%
    Mint 35.07%

     

    Flavor
    Citrus 39.22%
    Woody 35.59%
    Herbal 28.6%
    Green 26.93%
    Herb 26.82%
    Terpene 26.32%
    Fresh 24.75%
    Wood 23.91%
    Gasoline 23.56%
    Oriental 21.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.42 (weak base)

    Molecular weight
    98.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    85°C

    Flash point

    • -10.52 ˚C est.

  • Synonyms

    • 2,3-DIMETHYL-1-PENTENE
    • 3404-72-6
    • 2,3-Dimethylpent-1-ene
    • EINECS 222-285-2
    • DTXSID10863168
    • NSC 74134
    • RefChem:442542
    • DTXCID90811829
    • 222-285-2
    • 1-Pentene, 2,3-dimethyl-
    • MFCD00027075
    • NSC74134
    • 2,3-dimethyl-pent-1-ene
    • SCHEMBL249125
    • SCHEMBL1259641
    • SCHEMBL3552286
    • SCHEMBL3891565
    • SCHEMBL4112510
    • SCHEMBL10399966
    • SCHEMBL12096028
    • NSC-74134
    • AKOS009157235
    • D1248
    • NS00048105
    • 2,3-Dimethyl-1-pentene, >=97.0% (GC)
    • T70795
    • 3404-72-6

  • Applications

    2,3-Dimethylpent-1-ene (CAS 3404-72-6) is a branched terminal olefin that primarily serves as a non-polar solvent and processing aid in industrial manufacturing. It can also function as a chemical intermediate or building block for synthesizing higher-value branched hydrocarbons and specialty polymers. In coatings, inks, and adhesives, it is used as a diluent or solvent component in formulation blends. As a hydrocarbon feedstock or reactive diluent, it may participate in petrochemical processing and resin systems, and in cosmetics/personal care it can act as a hydrocarbon carrier or solvent under regulatory limits. Its use is typically subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1020.18
    methanol 647.73
    isopropanol 736.09
    water 0.17
    ethyl acetate 1187.96
    n-propanol 902.37
    acetone 548.73
    n-butanol 1171.94
    acetonitrile 553.47
    DMF 246.21
    toluene 633.98
    isobutanol 581.77
    1,4-dioxane 1562.59
    methyl acetate 637.06
    THF 2354.39
    2-butanone 849.45
    n-pentanol 773.52
    sec-butanol 938.67
    n-hexane 1034.22
    ethylene glycol 40.11
    NMP 400.67
    cyclohexane 920.81
    DMSO 294.75
    n-butyl acetate 2628.27
    n-octanol 535.06
    chloroform 1824.31
    n-propyl acetate 713.48
    acetic acid 339.72
    dichloromethane 1386.63
    cyclohexanone 1053.54
    propylene glycol 95.02
    isopropyl acetate 758.92
    DMAc 321.22
    2-ethoxyethanol 524.21
    isopentanol 940.25
    n-heptane 1365.32
    ethyl formate 412.58
    1,2-dichloroethane 840.2
    n-hexanol 2111.16
    2-methoxyethanol 646.98
    isobutyl acetate 461.1
    tetrachloromethane 620.85
    n-pentyl acetate 804.99
    transcutol 2106.54
    n-heptanol 643.93
    ethylbenzene 319.92
    MIBK 535.51
    2-propoxyethanol 1518.98
    tert-butanol 989.75
    MTBE 1746.22
    2-butoxyethanol 640.72
    propionic acid 350.68
    o-xylene 321.85
    formic acid 59.82
    diethyl ether 2327.62
    m-xylene 378.2
    p-xylene 350.23
    chlorobenzene 574.13
    dimethyl carbonate 89.12
    n-octane 315.33
    formamide 81.0
    cyclopentanone 809.33
    2-pentanone 897.6
    anisole 473.32
    cyclopentyl methyl ether 1245.92
    gamma-butyrolactone 642.11
    1-methoxy-2-propanol 555.39
    pyridine 1015.03
    3-pentanone 655.06
    furfural 530.1
    n-dodecane 128.58
    diethylene glycol 401.53
    diisopropyl ether 761.41
    tert-amyl alcohol 1105.62
    acetylacetone 484.43
    n-hexadecane 142.73
    acetophenone 297.98
    methyl propionate 497.25
    isopentyl acetate 1738.85
    trichloroethylene 1118.19
    n-nonanol 509.05
    cyclohexanol 852.97
    benzyl alcohol 267.36
    2-ethylhexanol 1702.64
    isooctanol 531.61
    dipropyl ether 2466.93
    1,2-dichlorobenzene 449.81
    ethyl lactate 160.91
    propylene carbonate 460.06
    n-methylformamide 169.01
    2-pentanol 922.99
    n-pentane 828.4
    1-propoxy-2-propanol 1579.67
    1-methoxy-2-propyl acetate 1039.16
    2-(2-methoxypropoxy) propanol 507.8
    mesitylene 250.02
    ε-caprolactone 986.72
    p-cymene 425.73
    epichlorohydrin 967.34
    1,1,1-trichloroethane 1055.65
    2-aminoethanol 165.38
    morpholine-4-carbaldehyde 557.0
    sulfolane 473.92
    2,2,4-trimethylpentane 284.15
    2-methyltetrahydrofuran 2246.69
    n-hexyl acetate 920.06
    isooctane 255.41
    2-(2-butoxyethoxy)ethanol 758.37
    sec-butyl acetate 548.38
    tert-butyl acetate 793.07
    decalin 293.4
    glycerin 96.34
    diglyme 1154.13
    acrylic acid 167.71
    isopropyl myristate 381.49
    n-butyric acid 900.11
    acetyl acetate 429.61
    di(2-ethylhexyl) phthalate 221.34
    ethyl propionate 548.8
    nitromethane 329.11
    1,2-diethoxyethane 1986.06
    benzonitrile 459.22
    trioctyl phosphate 206.72
    1-bromopropane 1433.76
    gamma-valerolactone 864.2
    n-decanol 382.57
    triethyl phosphate 334.55
    4-methyl-2-pentanol 518.54
    propionitrile 693.61
    vinylene carbonate 330.32
    1,1,2-trichlorotrifluoroethane 377.96
    DMS 299.95
    cumene 218.2
    2-octanol 447.0
    2-hexanone 807.42
    octyl acetate 461.65
    limonene 874.35
    1,2-dimethoxyethane 1088.2
    ethyl orthosilicate 414.81
    tributyl phosphate 281.62
    diacetone alcohol 528.38
    N,N-dimethylaniline 274.92
    acrylonitrile 421.53
    aniline 493.27
    1,3-propanediol 340.58
    bromobenzene 642.17
    dibromomethane 1241.16
    1,1,2,2-tetrachloroethane 955.39
    2-methyl-cyclohexyl acetate 744.36
    tetrabutyl urea 292.9
    diisobutyl methanol 719.48
    2-phenylethanol 619.05
    styrene 382.35
    dioctyl adipate 358.61
    dimethyl sulfate 87.7
    ethyl butyrate 1391.77
    methyl lactate 123.86
    butyl lactate 385.26
    diethyl carbonate 628.26
    propanediol butyl ether 334.99
    triethyl orthoformate 961.46
    p-tert-butyltoluene 428.47
    methyl 4-tert-butylbenzoate 318.59
    morpholine 1770.98
    tert-butylamine 977.52
    n-dodecanol 294.74
    dimethoxymethane 393.03
    ethylene carbonate 352.08
    cyrene 230.03
    2-ethoxyethyl acetate 718.36
    2-ethylhexyl acetate 1676.57
    1,2,4-trichlorobenzene 455.58
    4-methylpyridine 977.24
    dibutyl ether 1438.3
    2,6-dimethyl-4-heptanol 719.48
    DEF 695.03
    dimethyl isosorbide 746.77
    tetrachloroethylene 703.28
    eugenol 284.18
    triacetin 383.71
    span 80 532.74
    1,4-butanediol 108.06
    1,1-dichloroethane 1088.17
    2-methyl-1-pentanol 769.57
    methyl formate 100.22
    2-methyl-1-butanol 920.2
    n-decane 263.34
    butyronitrile 1067.96
    3,7-dimethyl-1-octanol 680.58
    1-chlorooctane 548.93
    1-chlorotetradecane 202.52
    n-nonane 305.57
    undecane 171.47
    tert-butylcyclohexane 311.35
    cyclooctane 377.71
    cyclopentanol 608.65
    tetrahydropyran 2626.31
    tert-amyl methyl ether 1222.21
    2,5,8-trioxanonane 744.82
    1-hexene 1592.47
    2-isopropoxyethanol 448.32
    2,2,2-trifluoroethanol 61.68
    methyl butyrate 639.43

    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