(E)-2,5,5-Trimethylhepta-3,6-dien-2-ol

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  • Identifiers

    CAS number
    30458-12-9

    Molecular formula
    C10H18O

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

  • Odor profile

    Herbal 65.46%
    Citrus 65.33%
    Floral 59.07%
    Woody 58.68%
    Fresh 54.31%
    Lavender 47.54%
    Lemon 46.41%
    Bergamot 43.22%
    Green 42.32%
    Sweet 41.73%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.75 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    184°C

    Flash point est.
    75.68 ˚C

  • Synonyms

    • Yomogi alcohol
    • 26127-98-0
    • (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol
    • 3,3,6-Trimethyl-1,4-heptadien-6-ol
    • Yomogi alcohol A
    • 2,5,5-trimethyl-3,6-heptadien-2-ol
    • yomogialkohol
    • Yogomi alcohol
    • EINECS 247-474-7
    • WQW4TYB2RH
    • SCHEMBL1064900
    • DTXSID901317396
    • 3,6-Heptadien-2-ol, 2,5,5-trimethyl-
    • NS00050533
    • (3E)-2,5,5-Trimethyl-3,6-heptadien-2-ol
    • (3E)-2,5,5-trimethyl-hepta-3,6-dien-2-ol
    • (3E)-2,5,5-Trimethyl-3,6-heptadien-2-ol #
    • 3,6-Heptadien-2-ol, 2,5,5-trimethyl-, (E)-
    • 3,6-Heptadien-2-ol, 2,5,5-trimethyl-, (3E)-

  • Applications

    (E)-2,5,5-Trimethylhepta-3,6-dien-2-ol (CAS 30458-12-9) is an unsaturated, terpene-like tertiary alcohol with a fresh, green-herbal and slightly woody odour, applied primarily in perfumery as a fragrance ingredient or as a synthetic intermediate to tune volatility and substantivity in fine fragrances, soaps, shampoos, detergents, and home-care products; it also serves as a synthon for preparing odour-active esters/ethers/carbonates, as a reference standard in GC/MS method development for volatiles, and as a model substrate in chemical transformation studies (allylic oxidation, epoxidation, hydroformylation, allylic substitution, E/Z isomerization), with handling considerations to minimize auto-oxidation and isomerization, use at low dosages, and compliance with applicable safety and regulatory guidance.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.69
    methanol 65.05
    isopropanol 93.79
    water 1.37
    ethyl acetate 64.8
    n-propanol 77.88
    acetone 86.6
    n-butanol 80.03
    acetonitrile 47.1
    DMF 165.83
    toluene 46.24
    isobutanol 79.39
    1,4-dioxane 104.71
    methyl acetate 77.73
    THF 193.23
    2-butanone 100.17
    n-pentanol 60.29
    sec-butanol 101.3
    n-hexane 44.99
    ethylene glycol 33.53
    NMP 158.14
    cyclohexane 34.45
    DMSO 91.43
    n-butyl acetate 91.05
    n-octanol 112.29
    chloroform 145.66
    n-propyl acetate 48.51
    acetic acid 44.95
    dichloromethane 81.43
    cyclohexanone 121.71
    propylene glycol 90.64
    isopropyl acetate 59.86
    DMAc 211.42
    2-ethoxyethanol 69.92
    isopentanol 85.26
    n-heptane 56.58
    ethyl formate 43.0
    1,2-dichloroethane 49.32
    n-hexanol 161.2
    2-methoxyethanol 110.89
    isobutyl acetate 51.82
    tetrachloromethane 39.72
    n-pentyl acetate 60.03
    transcutol 168.76
    n-heptanol 93.8
    ethylbenzene 53.89
    MIBK 71.62
    2-propoxyethanol 175.32
    tert-butanol 154.81
    MTBE 120.93
    2-butoxyethanol 105.23
    propionic acid 63.83
    o-xylene 56.64
    formic acid 17.72
    diethyl ether 59.65
    m-xylene 55.55
    p-xylene 71.48
    chlorobenzene 45.95
    dimethyl carbonate 37.99
    n-octane 26.39
    formamide 20.26
    cyclopentanone 151.16
    2-pentanone 77.64
    anisole 85.8
    cyclopentyl methyl ether 100.35
    gamma-butyrolactone 120.78
    1-methoxy-2-propanol 138.4
    pyridine 65.02
    3-pentanone 70.89
    furfural 110.56
    n-dodecane 26.18
    diethylene glycol 103.79
    diisopropyl ether 42.55
    tert-amyl alcohol 149.23
    acetylacetone 85.21
    n-hexadecane 27.0
    acetophenone 77.92
    methyl propionate 70.8
    isopentyl acetate 103.34
    trichloroethylene 100.98
    n-nonanol 102.97
    cyclohexanol 90.51
    benzyl alcohol 60.76
    2-ethylhexanol 122.73
    isooctanol 81.75
    dipropyl ether 95.48
    1,2-dichlorobenzene 55.07
    ethyl lactate 57.75
    propylene carbonate 90.06
    n-methylformamide 55.18
    2-pentanol 78.63
    n-pentane 32.05
    1-propoxy-2-propanol 170.95
    1-methoxy-2-propyl acetate 122.68
    2-(2-methoxypropoxy) propanol 152.77
    mesitylene 45.73
    ε-caprolactone 103.5
    p-cymene 71.32
    epichlorohydrin 100.64
    1,1,1-trichloroethane 93.48
    2-aminoethanol 62.32
    morpholine-4-carbaldehyde 158.18
    sulfolane 171.57
    2,2,4-trimethylpentane 30.53
    2-methyltetrahydrofuran 135.34
    n-hexyl acetate 116.2
    isooctane 24.95
    2-(2-butoxyethoxy)ethanol 142.25
    sec-butyl acetate 49.43
    tert-butyl acetate 86.75
    decalin 37.44
    glycerin 94.69
    diglyme 177.06
    acrylic acid 50.03
    isopropyl myristate 75.69
    n-butyric acid 74.32
    acetyl acetate 45.19
    di(2-ethylhexyl) phthalate 74.33
    ethyl propionate 55.79
    nitromethane 65.34
    1,2-diethoxyethane 75.85
    benzonitrile 61.21
    trioctyl phosphate 64.61
    1-bromopropane 57.86
    gamma-valerolactone 154.48
    n-decanol 88.06
    triethyl phosphate 66.05
    4-methyl-2-pentanol 67.2
    propionitrile 63.78
    vinylene carbonate 73.43
    1,1,2-trichlorotrifluoroethane 115.97
    DMS 75.98
    cumene 57.89
    2-octanol 73.9
    2-hexanone 72.65
    octyl acetate 91.92
    limonene 96.71
    1,2-dimethoxyethane 128.06
    ethyl orthosilicate 62.15
    tributyl phosphate 65.83
    diacetone alcohol 121.75
    N,N-dimethylaniline 94.91
    acrylonitrile 63.05
    aniline 54.05
    1,3-propanediol 65.3
    bromobenzene 46.11
    dibromomethane 66.9
    1,1,2,2-tetrachloroethane 119.99
    2-methyl-cyclohexyl acetate 106.63
    tetrabutyl urea 90.64
    diisobutyl methanol 82.51
    2-phenylethanol 95.9
    styrene 47.33
    dioctyl adipate 94.36
    dimethyl sulfate 66.51
    ethyl butyrate 78.07
    methyl lactate 75.81
    butyl lactate 79.17
    diethyl carbonate 60.01
    propanediol butyl ether 127.6
    triethyl orthoformate 72.17
    p-tert-butyltoluene 79.17
    methyl 4-tert-butylbenzoate 125.62
    morpholine 118.41
    tert-butylamine 115.97
    n-dodecanol 76.02
    dimethoxymethane 93.33
    ethylene carbonate 59.32
    cyrene 126.24
    2-ethoxyethyl acetate 67.35
    2-ethylhexyl acetate 87.66
    1,2,4-trichlorobenzene 74.18
    4-methylpyridine 80.1
    dibutyl ether 83.31
    2,6-dimethyl-4-heptanol 82.51
    DEF 84.99
    dimethyl isosorbide 206.21
    tetrachloroethylene 65.08
    eugenol 112.95
    triacetin 107.93
    span 80 153.69
    1,4-butanediol 34.9
    1,1-dichloroethane 79.74
    2-methyl-1-pentanol 70.06
    methyl formate 43.53
    2-methyl-1-butanol 85.6
    n-decane 35.65
    butyronitrile 62.52
    3,7-dimethyl-1-octanol 117.68
    1-chlorooctane 74.7
    1-chlorotetradecane 45.1
    n-nonane 35.21
    undecane 29.63
    tert-butylcyclohexane 43.52
    cyclooctane 22.92
    cyclopentanol 101.26
    tetrahydropyran 105.84
    tert-amyl methyl ether 116.87
    2,5,8-trioxanonane 157.31
    1-hexene 69.28
    2-isopropoxyethanol 69.66
    2,2,2-trifluoroethanol 25.69
    methyl butyrate 68.05

    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
Santolina pectina Santolina pectina Lag., fam. Asteraceae (Compositae) 0.07%
Santolina semidentata Santolina semidentata Hoffmanns. & Link, fam. Asteraceae (Compositae) 0.4%