2-Isopropyl-5-methyl-hex-2-enal, (2E)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    35158-25-9

    Molecular formula
    C10H18O

    SMILES
    CC(C)C/C=C(/C=O)\C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 77.82%
    Herbal 75.63%
    Woody 59.96%
    Mint 49.44%
    Fresh 46.91%
    Spicy 45.12%
    Camphoreous 38.5%
    Earthy 35.09%
    Cooling 34.49%
    Leafy 31.23%

     

    Flavor
    Green 32.92%
    Herbal 31.81%
    Citrus 27.56%
    Fruity 23.31%
    Spicy 22.68%
    Herb 21.54%
    Sweet 21.21%
    Butyric 20.56%
    Bitter 20.49%
    Tropical 19.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.76 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    211°C

    Flash point

    • 76.7 ˚C est.

    Solubility expt.

    • Insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • 2-Isopropyl-5-methyl-2-hexenal
    • 2-Isopropyl-5-methylhex-2-enal
    • 35158-25-9
    • 69104-96-7
    • FEMA no. 3406, E-
    • 2-Isopropyl-5-methyl-hex-2-enal, (2E)-
    • UNII-FI8O66176J
    • (E)-2-Isopropyl-5-methyl-hex-2-enal
    • FI8O66176J
    • (E)-2-(1-Methylethyl)-5-methylhex-2-enal
    • Isodihydroavandulyl aldehyde
    • 2-Hexenal, 5-methyl-2-(1-methylethyl)-, (E)-
    • 2-Hexenal, 5-methyl-2-(1-methylethyl)-, (2E)-
    • (E)-5-methyl-2-propan-2-ylhex-2-enal
    • (2E)-5-methyl-2-(propan-2-yl)hex-2-enal
    • DTXSID30219168
    • Isodihydrolavandulyl aldehyde
    • alpha-Isopropyl-beta-isobutylacrolein
    • 2-Isopropyl-5-methyl-2-hexen-1-al
    • 5-Methyl-2-(1-methylethyl)-2-hexenal
    • (e)-2-isopropyl-5-methyl-2-hexenal
    • FEMA No. 3406
    • 2-Hexenal, 2-isopropyl-5-methyl-
    • EINECS 252-406-4
    • UNII-7F8Q5STQ11
    • 2-Hexen-1-al, 5-methyl-2-(1-methylethyl)-
    • Isodehydrolavandulal
    • cis-5-Methyl-2-isopropyl-2-hexen-1-al
    • 2-HEXEN-1-AL, 2-ISOPROPYL-5-METHYL-
    • SCHEMBL459467
    • 7F8Q5STQ11
    • DTXCID50141659
    • (E)-2-isopropyl-5-methylhex-2-enal
    • AKOS015903397
    • CS-W016266
    • (2E)-2-isopropyl-5-methyl-hex-2-enal
    • AS-60170
    • LS-13869
    • (2E)-2-Isopropyl-5-methyl-2-hexenal #
    • D77786
    • Q27277997

  • Applications

    2-Isopropyl-5-methyl-2-hexenal (CAS 35158-25-9) is a branched-chain aldehyde with a crisp green aroma that is primarily employed as a flavour and fragrance ingredient and as a semi-finished intermediate in cosmetics and food technology; at trace levels it delivers cucumber, freshly-cut grass and subtle woody nuances, making it valuable for compounding natural-style perfumes, soap and detergent perfumes, scented candles, personal-care products, and flavour blends for processed vegetables, carbonated beverages and confectionery; beyond olfaction, the molecule serves as a versatile building block for synthesising bioactive aldehydes and alcohols, is used in insect pheromone studies, crop-protection materials, olfactory sensor development and as a carbon-skeleton constructor in pharmaceuticals through aldol reactions, selective reductions and oxime formation, all while meeting IFRA safety guidelines when dosage limits are respected.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 370.57
    methanol 172.73
    isopropanol 465.54
    water 0.37
    ethyl acetate 343.11
    n-propanol 389.96
    acetone 500.72
    n-butanol 402.22
    acetonitrile 417.19
    DMF 410.11
    toluene 210.0
    isobutanol 343.88
    1,4-dioxane 627.07
    methyl acetate 337.91
    THF 981.39
    2-butanone 476.9
    n-pentanol 231.97
    sec-butanol 434.46
    n-hexane 139.41
    ethylene glycol 38.38
    NMP 550.88
    cyclohexane 249.74
    DMSO 298.21
    n-butyl acetate 534.05
    n-octanol 217.3
    chloroform 1549.33
    n-propyl acetate 252.15
    acetic acid 330.55
    dichloromethane 1085.06
    cyclohexanone 844.94
    propylene glycol 97.13
    isopropyl acetate 215.44
    DMAc 281.02
    2-ethoxyethanol 171.61
    isopentanol 344.98
    n-heptane 143.46
    ethyl formate 264.53
    1,2-dichloroethane 570.02
    n-hexanol 472.25
    2-methoxyethanol 276.79
    isobutyl acetate 184.91
    tetrachloromethane 272.04
    n-pentyl acetate 245.76
    transcutol 638.95
    n-heptanol 206.8
    ethylbenzene 166.01
    MIBK 218.15
    2-propoxyethanol 387.1
    tert-butanol 516.4
    MTBE 351.58
    2-butoxyethanol 242.31
    propionic acid 299.26
    o-xylene 160.79
    formic acid 52.12
    diethyl ether 304.91
    m-xylene 164.89
    p-xylene 237.05
    chlorobenzene 389.47
    dimethyl carbonate 78.58
    n-octane 50.47
    formamide 78.94
    cyclopentanone 836.52
    2-pentanone 375.81
    anisole 241.3
    cyclopentyl methyl ether 398.11
    gamma-butyrolactone 815.18
    1-methoxy-2-propanol 267.77
    pyridine 617.7
    3-pentanone 251.42
    furfural 605.27
    n-dodecane 36.13
    diethylene glycol 181.76
    diisopropyl ether 117.35
    tert-amyl alcohol 386.91
    acetylacetone 304.33
    n-hexadecane 41.13
    acetophenone 249.27
    methyl propionate 223.74
    isopentyl acetate 467.08
    trichloroethylene 1235.11
    n-nonanol 181.67
    cyclohexanol 478.17
    benzyl alcohol 193.96
    2-ethylhexanol 327.36
    isooctanol 173.08
    dipropyl ether 290.0
    1,2-dichlorobenzene 365.92
    ethyl lactate 118.25
    propylene carbonate 540.99
    n-methylformamide 180.81
    2-pentanol 308.7
    n-pentane 112.53
    1-propoxy-2-propanol 389.39
    1-methoxy-2-propyl acetate 323.32
    2-(2-methoxypropoxy) propanol 235.02
    mesitylene 127.16
    ε-caprolactone 628.29
    p-cymene 177.23
    epichlorohydrin 776.0
    1,1,1-trichloroethane 795.4
    2-aminoethanol 104.99
    morpholine-4-carbaldehyde 434.73
    sulfolane 737.85
    2,2,4-trimethylpentane 56.19
    2-methyltetrahydrofuran 791.63
    n-hexyl acetate 384.83
    isooctane 51.96
    2-(2-butoxyethoxy)ethanol 291.03
    sec-butyl acetate 180.02
    tert-butyl acetate 244.98
    decalin 92.81
    glycerin 98.54
    diglyme 462.35
    acrylic acid 220.2
    isopropyl myristate 161.14
    n-butyric acid 512.96
    acetyl acetate 194.12
    di(2-ethylhexyl) phthalate 145.75
    ethyl propionate 202.39
    nitromethane 442.07
    1,2-diethoxyethane 288.95
    benzonitrile 390.7
    trioctyl phosphate 116.44
    1-bromopropane 476.6
    gamma-valerolactone 768.81
    n-decanol 137.26
    triethyl phosphate 144.8
    4-methyl-2-pentanol 166.09
    propionitrile 377.17
    vinylene carbonate 422.02
    1,1,2-trichlorotrifluoroethane 443.9
    DMS 203.49
    cumene 130.85
    2-octanol 163.76
    2-hexanone 306.29
    octyl acetate 199.01
    limonene 265.24
    1,2-dimethoxyethane 372.0
    ethyl orthosilicate 138.59
    tributyl phosphate 142.98
    diacetone alcohol 280.62
    N,N-dimethylaniline 168.11
    acrylonitrile 374.95
    aniline 255.0
    1,3-propanediol 193.67
    bromobenzene 417.51
    dibromomethane 884.8
    1,1,2,2-tetrachloroethane 1011.03
    2-methyl-cyclohexyl acetate 299.19
    tetrabutyl urea 171.88
    diisobutyl methanol 195.3
    2-phenylethanol 277.35
    styrene 190.48
    dioctyl adipate 221.32
    dimethyl sulfate 126.66
    ethyl butyrate 316.42
    methyl lactate 115.16
    butyl lactate 204.78
    diethyl carbonate 213.87
    propanediol butyl ether 236.63
    triethyl orthoformate 224.78
    p-tert-butyltoluene 170.15
    methyl 4-tert-butylbenzoate 249.51
    morpholine 724.8
    tert-butylamine 378.76
    n-dodecanol 109.57
    dimethoxymethane 198.07
    ethylene carbonate 349.49
    cyrene 220.64
    2-ethoxyethyl acetate 242.34
    2-ethylhexyl acetate 368.36
    1,2,4-trichlorobenzene 421.65
    4-methylpyridine 540.19
    dibutyl ether 243.73
    2,6-dimethyl-4-heptanol 195.3
    DEF 286.98
    dimethyl isosorbide 436.01
    tetrachloroethylene 598.11
    eugenol 215.46
    triacetin 256.89
    span 80 272.19
    1,4-butanediol 76.51
    1,1-dichloroethane 777.32
    2-methyl-1-pentanol 218.07
    methyl formate 148.58
    2-methyl-1-butanol 324.4
    n-decane 60.26
    butyronitrile 504.99
    3,7-dimethyl-1-octanol 221.61
    1-chlorooctane 186.33
    1-chlorotetradecane 81.65
    n-nonane 63.87
    undecane 44.92
    tert-butylcyclohexane 88.95
    cyclooctane 74.13
    cyclopentanol 488.73
    tetrahydropyran 871.35
    tert-amyl methyl ether 239.27
    2,5,8-trioxanonane 325.77
    1-hexene 302.88
    2-isopropoxyethanol 155.92
    2,2,2-trifluoroethanol 96.61
    methyl butyrate 301.91

    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