3,3,6-Trimethylhepta-1,5-dien-4-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    29887-38-5

    Molecular formula
    C10H18O

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

    Retention indicies (RI)

    • DB5: 1083.0
    • Carbowax: 1502.5

  • Odor profile

    Herbal 77.37%
    Mint 45.66%
    Citrus 44.84%
    Camphoreous 38.64%
    Green 35.35%
    Woody 35.26%
    Lavender 34.93%
    Fresh 33.35%
    Earthy 31.72%
    Spicy 31.27%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.47 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    194°C

    Flash point est.
    78.58 ˚C

  • Synonyms

    • Artemisia alcohol
    • 3,3,6-Trimethylhepta-1,5-dien-4-ol
    • 3,3,6-Trimethyl-1,5-heptadien-4-ol
    • 27644-04-8
    • 1,5-Heptadien-4-ol, 3,3,6-trimethyl-
    • 29887-38-5
    • EINECS 248-589-5
    • (.+/-.)-Artemisia alcohol
    • SCHEMBL309975
    • DTXSID50952343
    • NSC367110
    • NSC 367110
    • NSC-367110
    • 2,5,5-trimethylhepta-2,6-dien-4-ol
    • NS00050118
    • 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, (S)-

  • Applications

    3,3,6-Trimethylhepta-1,5-dien-4-ol (CAS 29887-38-5) is an allylic monoterpenoid alcohol used mainly as an intermediate and synthetic building block in fine chemicals and aroma chemistry: it readily forms ester, carbonate, epoxide, and other functionalized derivatives to tune odor, volatility, and stability, and serves as a precursor to other fragrance ingredients; it may be considered as a flavor/fragrance component in cosmetics, personal care, or foods when compliant with applicable standards and regulations; it is commonly employed as a model substrate in catalysis and methodology development (selective allylic oxidation, hydrogenation/hydrosilylation, epoxidation, hydroboration/hydroformylation, isomerization) and as a reference material for GC/GC–MS method development; it is also useful in routes to pharma and agro intermediates as a versatile C10 fragment bearing two tunable C=C bonds and a transformable OH group; specific deployment depends on purity, stereochemistry, safety assessment, and local regulatory requirements.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 149.53
    methanol 84.72
    isopropanol 229.23
    water 1.44
    ethyl acetate 173.82
    n-propanol 183.4
    acetone 210.93
    n-butanol 198.62
    acetonitrile 149.71
    DMF 240.56
    toluene 129.18
    isobutanol 204.38
    1,4-dioxane 323.21
    methyl acetate 199.3
    THF 523.92
    2-butanone 278.31
    n-pentanol 154.16
    sec-butanol 294.67
    n-hexane 113.81
    ethylene glycol 34.13
    NMP 299.81
    cyclohexane 118.29
    DMSO 155.56
    n-butyl acetate 276.91
    n-octanol 217.04
    chloroform 552.02
    n-propyl acetate 149.16
    acetic acid 119.13
    dichloromethane 318.46
    cyclohexanone 345.88
    propylene glycol 100.82
    isopropyl acetate 150.84
    DMAc 291.05
    2-ethoxyethanol 143.71
    isopentanol 208.72
    n-heptane 130.96
    ethyl formate 124.14
    1,2-dichloroethane 183.06
    n-hexanol 328.41
    2-methoxyethanol 174.78
    isobutyl acetate 139.43
    tetrachloromethane 141.58
    n-pentyl acetate 168.81
    transcutol 338.14
    n-heptanol 207.07
    ethylbenzene 141.74
    MIBK 170.28
    2-propoxyethanol 261.35
    tert-butanol 376.95
    MTBE 321.45
    2-butoxyethanol 207.67
    propionic acid 147.39
    o-xylene 138.13
    formic acid 28.28
    diethyl ether 176.51
    m-xylene 134.0
    p-xylene 198.5
    chlorobenzene 163.09
    dimethyl carbonate 63.56
    n-octane 58.83
    formamide 40.29
    cyclopentanone 388.53
    2-pentanone 198.12
    anisole 193.18
    cyclopentyl methyl ether 244.0
    gamma-butyrolactone 332.85
    1-methoxy-2-propanol 208.73
    pyridine 207.77
    3-pentanone 169.68
    furfural 278.98
    n-dodecane 50.05
    diethylene glycol 138.03
    diisopropyl ether 111.84
    tert-amyl alcohol 379.9
    acetylacetone 189.63
    n-hexadecane 53.22
    acetophenone 178.21
    methyl propionate 144.63
    isopentyl acetate 293.57
    trichloroethylene 392.22
    n-nonanol 195.33
    cyclohexanol 244.1
    benzyl alcohol 137.57
    2-ethylhexanol 256.92
    isooctanol 190.9
    dipropyl ether 216.45
    1,2-dichlorobenzene 170.54
    ethyl lactate 104.67
    propylene carbonate 256.81
    n-methylformamide 92.46
    2-pentanol 211.58
    n-pentane 88.02
    1-propoxy-2-propanol 282.32
    1-methoxy-2-propyl acetate 216.14
    2-(2-methoxypropoxy) propanol 239.36
    mesitylene 114.47
    ε-caprolactone 287.47
    p-cymene 159.7
    epichlorohydrin 307.75
    1,1,1-trichloroethane 342.29
    2-aminoethanol 81.36
    morpholine-4-carbaldehyde 270.83
    sulfolane 377.5
    2,2,4-trimethylpentane 79.22
    2-methyltetrahydrofuran 425.28
    n-hexyl acetate 271.75
    isooctane 68.54
    2-(2-butoxyethoxy)ethanol 248.48
    sec-butyl acetate 138.3
    tert-butyl acetate 208.47
    decalin 94.7
    glycerin 103.39
    diglyme 340.11
    acrylic acid 107.42
    isopropyl myristate 162.53
    n-butyric acid 208.9
    acetyl acetate 118.81
    di(2-ethylhexyl) phthalate 131.21
    ethyl propionate 142.26
    nitromethane 163.99
    1,2-diethoxyethane 187.2
    benzonitrile 187.86
    trioctyl phosphate 120.95
    1-bromopropane 206.36
    gamma-valerolactone 369.77
    n-decanol 160.41
    triethyl phosphate 125.59
    4-methyl-2-pentanol 162.38
    propionitrile 177.84
    vinylene carbonate 200.44
    1,1,2-trichlorotrifluoroethane 234.75
    DMS 143.04
    cumene 141.39
    2-octanol 176.17
    2-hexanone 194.29
    octyl acetate 187.32
    limonene 219.98
    1,2-dimethoxyethane 277.71
    ethyl orthosilicate 126.06
    tributyl phosphate 121.92
    diacetone alcohol 243.8
    N,N-dimethylaniline 176.76
    acrylonitrile 151.31
    aniline 136.43
    1,3-propanediol 118.42
    bromobenzene 175.35
    dibromomethane 266.77
    1,1,2,2-tetrachloroethane 375.4
    2-methyl-cyclohexyl acetate 231.57
    tetrabutyl urea 149.48
    diisobutyl methanol 186.44
    2-phenylethanol 196.76
    styrene 131.08
    dioctyl adipate 189.38
    dimethyl sulfate 111.5
    ethyl butyrate 214.05
    methyl lactate 102.06
    butyl lactate 157.31
    diethyl carbonate 148.77
    propanediol butyl ether 218.85
    triethyl orthoformate 162.9
    p-tert-butyltoluene 172.05
    methyl 4-tert-butylbenzoate 248.91
    morpholine 319.52
    tert-butylamine 299.15
    n-dodecanol 138.69
    dimethoxymethane 144.86
    ethylene carbonate 167.03
    cyrene 203.09
    2-ethoxyethyl acetate 155.25
    2-ethylhexyl acetate 240.87
    1,2,4-trichlorobenzene 208.69
    4-methylpyridine 243.01
    dibutyl ether 200.95
    2,6-dimethyl-4-heptanol 186.44
    DEF 183.52
    dimethyl isosorbide 353.37
    tetrachloroethylene 210.26
    eugenol 203.38
    triacetin 203.85
    span 80 255.35
    1,4-butanediol 63.83
    1,1-dichloroethane 306.15
    2-methyl-1-pentanol 178.13
    methyl formate 81.64
    2-methyl-1-butanol 211.5
    n-decane 73.89
    butyronitrile 216.56
    3,7-dimethyl-1-octanol 231.94
    1-chlorooctane 167.37
    1-chlorotetradecane 89.98
    n-nonane 74.98
    undecane 58.24
    tert-butylcyclohexane 111.69
    cyclooctane 62.53
    cyclopentanol 273.46
    tetrahydropyran 368.02
    tert-amyl methyl ether 255.95
    2,5,8-trioxanonane 275.27
    1-hexene 193.89
    2-isopropoxyethanol 148.69
    2,2,2-trifluoroethanol 58.04
    methyl butyrate 189.72

    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
Achillea wilhelmsii (Turkey) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 1.4%
Chamomile, wild (Morocco) Ormenis mixta, fam. Asteraceae (Compositae) 2.3%
Lanyana (Oregon-USA) Artemisia afra Jacq., fam. Asteraceae (Compositae) 0.7%
Annual wormwood (USA, Oregon) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 5.2%
Annual wormwood 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 6.0%
Artemisia vestita (India) Artemisia vestita Wall. ex Dc., fam. Asteraceae (Compositae) 4.5%
Artemisia nilagirica (vulgaris) (India) 1 Artemisia nilagirica (C.B. Clarks) Pamp. (A. vulgaris Hook f.), Asteraceae 3.41%
Santolina chamaecyparisus (France) 1 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.75%
Annual wormwood 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 2.0%
Annual wormwood, leaf (U.S.A., Indiana) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 1.9%
Annual wormwood, leaf (U.S.A., Indiana) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.72%
Annual wormwood, flower (U.S.A., Indiana) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 2.1%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 1.5%
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 3.01%
Artemisia judaica (Egypt) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 3.25%
Artemisia persica (India) Artemisia persica Boiss., fam. Asteraceae (Compositae) 1.6%
Santolina chamaecyparisus (France) 3 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 1.21%
Annual wormwood (Yugoslavia) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 1.88%
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 7.5%
Santolina neapolitana (Italy) Santolina neapolitana Jordan et Fourr., fam. Asteraceae (Compositae) 0.05%
Armoise (Morocco) 8008-93-3 Artemisia herba-alba Asso, fam. Asteraceae (Compositae) 0.1%
Chamomile, german (Germany) 1 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.39%
Chamomile, german (Germany) 2, Living Flower 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.51%
Artemisia moorcroftiana Artemisia moorcroftiana, fam. Asteraceae (Compositae) 2.5%
Annual wormwood (China) 2a 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 7.5%
Annual wormwood (China) 2b 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 5.3%
Annual wormwood (Hungary) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 24.0%
Artemisia umbelliformis (Italy) Artemisia umbelliformis Lam., fam. Asteraceae (Compositae) 0.01%
Artemisia campestris (Italy) 1 Artemisia campestris L. ssp. borealis (Pallas), H.M. Hall et Clements 0.01%
Artemisia genipi (Italy) Artemisia genipi Weber, fam. Asteraceae (Compositae) 0.01%
Artemisia petrosa (Italy) Artemisia petrosa Baumg. ssp. eriantha Ten., fam. Asteraceae (Compositae) 0.01%
Artemisia vallesiaca (Italy) Artemisia vallesiaca All., fam. Asteraceae (Compositae) 0.01%
Wormwood (Mugwort) (Italy) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.01%
Artemisia chamaemelifolia (Italy) Artemisia chamaemelifolia Vill., fam. Asteraceae (Compositae) 0.01%
Artemisia glacialis (Italy) Artemisia glacialis L., fam. Asteraceae (Compositae) 0.4%
Artemisia campestris (Italy) 2 Artemisia campestris L. ssp. campestris, fam. Asteraceae (Compositae) 0.01%
Artemisia alba (Italy) 84775-75-7 Artemisia alba Turra, fam. Asteraceae (Compositae) 0.2%
Artemisia abrotanum (Italy) Artemisia abrotanum L., fam. Asteraceae (Compositae) 0.01%
Annual wormwood (Italy) Artemisia annua L., fam. Asteraceae (Compositae) 0.01%
Artemisia verlotiorum (Italy) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.01%
Armoise (Italy) 8008-93-3 Artemisia vulgaris L., fam. Asteraceae (Compositae) 0.01%
Vitex agnus-castus leaf (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.1%
Vitex agnus-castus fruit (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.01%
Vitex agnus-castus inflorescence (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.1%
Inula viscosa (Turkey) Inula viscosa (L.) Aiton (Dittrichia viscosa (L.) Greuter), fam.Asteraceae 0.1%
Yarrow (Greece) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.5%
Chamomile, german (India) 1 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.7%
Annual wormwood (Vietnam) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 2.67%
Tansy (Poland) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 1.2%
Tansy (Netherlands) 2a leaf 8016-87-3 Tanacetum vulgare L. artemisia chemotype, fam. Asteraceae (Compositae) 1.7%