Myrcenol

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  • Identifiers

    CAS number
    543-39-5

    Molecular formula
    C10H18O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1118.0
    • Carbowax: 1585.2

  • Odor profile

    Floral 73.53%
    Citrus 69.66%
    Woody 68.01%
    Fresh 65.26%
    Herbal 55.12%
    Lavender 48.33%
    Sweet 46.45%
    Lemon 46.02%
    Rose 42.77%
    Bergamot 41.62%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.95 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 99.00 to 100.00 °C. @ 10.00 mm Hg

    Flash point est.
    78.46 ˚C

  • Synonyms

    • Myrcenol
    • 543-39-5
    • 2-Methyl-6-methyleneoct-7-en-2-ol
    • 2-methyl-6-methylideneoct-7-en-2-ol
    • 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-
    • 3-Methylene-7-methyl-1-octen-7-ol
    • 2-Methyl-6-methylene-7-octen-2-ol
    • 7-hydroxy-7-methyl-3-methylene-1-octene
    • UNII-X4XS5MYJ20
    • EINECS 208-843-8
    • BRN 1744474
    • MYRCENOL 50
    • 7-methyl-3-methylene-1-octen-7-ol
    • 7-octen-2-ol, 2-methyl-6-methylene
    • X4XS5MYJ20
    • DTXSID5027192
    • CHEBI:87529
    • EC 208-843-8
    • 4-01-00-02280 (Beilstein Handbook Reference)
    • MYRCENOL [INCI]
    • SCHEMBL111246
    • DTXCID407192
    • 7-octen-2-ol,2-methyl-6-methylene
    • AKOS006272431
    • FM138909
    • DB-284378
    • NS00007334
    • Q411500

  • Applications

    Myrcenol (CAS 543-39-5) is a monoterpene alcohol with a fresh citrus–lavender–green odor profile, used mainly in fragrances and as a synthetic intermediate: applied directly to boost bright, clean top notes in fine fragrances, air care, candles, soaps, shampoos, and some detergents; used at trace levels in flavors to impart citrus, herbal and hop-like nuances; most notably a key feedstock for dihydromyrcenol/dihydromyrcenyl acetate and other myrcenyl esters, as well as diverse terpene derivatives via oxidation, hydrogenation and esterification for the aroma industry; in R&D it serves as a building block for selective allylic transformations, asymmetric synthesis and natural-aroma mimicry; typically stabilized with antioxidants and stored away from light/air due to peroxide formation tendency, with use levels guided by safety frameworks (e.g., IFRA, irritation and formulation-stability assessments) in household and personal care applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2625.11
    methanol 2827.76
    isopropanol 1857.61
    water 8.05
    ethyl acetate 847.11
    n-propanol 1759.65
    acetone 840.14
    n-butanol 1974.87
    acetonitrile 565.55
    DMF 793.34
    toluene 319.18
    isobutanol 1063.76
    1,4-dioxane 1726.26
    methyl acetate 620.63
    THF 2104.29
    2-butanone 819.17
    n-pentanol 1253.76
    sec-butanol 1501.59
    n-hexane 596.12
    ethylene glycol 327.27
    NMP 660.8
    cyclohexane 470.74
    DMSO 575.33
    n-butyl acetate 806.3
    n-octanol 734.31
    chloroform 1087.73
    n-propyl acetate 529.24
    acetic acid 890.89
    dichloromethane 638.12
    cyclohexanone 898.86
    propylene glycol 645.8
    isopropyl acetate 606.13
    DMAc 808.6
    2-ethoxyethanol 1129.22
    isopentanol 1384.36
    n-heptane 479.13
    ethyl formate 446.81
    1,2-dichloroethane 406.03
    n-hexanol 1916.49
    2-methoxyethanol 1763.61
    isobutyl acetate 378.64
    tetrachloromethane 264.51
    n-pentyl acetate 460.27
    transcutol 2865.78
    n-heptanol 762.05
    ethylbenzene 199.79
    MIBK 503.85
    2-propoxyethanol 1787.13
    tert-butanol 1808.86
    MTBE 1412.08
    2-butoxyethanol 935.48
    propionic acid 740.75
    o-xylene 221.23
    formic acid 377.95
    diethyl ether 1482.57
    m-xylene 239.69
    p-xylene 240.79
    chlorobenzene 266.18
    dimethyl carbonate 158.3
    n-octane 117.27
    formamide 349.48
    cyclopentanone 746.75
    2-pentanone 815.58
    anisole 395.94
    cyclopentyl methyl ether 967.16
    gamma-butyrolactone 669.8
    1-methoxy-2-propanol 1328.37
    pyridine 630.07
    3-pentanone 531.32
    furfural 553.38
    n-dodecane 71.09
    diethylene glycol 943.91
    diisopropyl ether 491.47
    tert-amyl alcohol 1557.17
    acetylacetone 465.22
    n-hexadecane 75.66
    acetophenone 279.54
    methyl propionate 523.4
    isopentyl acetate 698.4
    trichloroethylene 609.59
    n-nonanol 620.2
    cyclohexanol 1179.91
    benzyl alcohol 316.16
    2-ethylhexanol 976.2
    isooctanol 522.51
    dipropyl ether 1029.45
    1,2-dichlorobenzene 220.0
    ethyl lactate 278.6
    propylene carbonate 444.72
    n-methylformamide 512.23
    2-pentanol 1254.52
    n-pentane 512.2
    1-propoxy-2-propanol 1342.17
    1-methoxy-2-propyl acetate 659.31
    2-(2-methoxypropoxy) propanol 659.59
    mesitylene 166.59
    ε-caprolactone 837.34
    p-cymene 184.39
    epichlorohydrin 751.96
    1,1,1-trichloroethane 502.44
    2-aminoethanol 892.9
    morpholine-4-carbaldehyde 1055.23
    sulfolane 527.7
    2,2,4-trimethylpentane 189.1
    2-methyltetrahydrofuran 1565.47
    n-hexyl acetate 766.89
    isooctane 138.17
    2-(2-butoxyethoxy)ethanol 1044.13
    sec-butyl acetate 422.71
    tert-butyl acetate 627.99
    decalin 171.86
    glycerin 670.31
    diglyme 1457.6
    acrylic acid 448.2
    isopropyl myristate 276.33
    n-butyric acid 1185.36
    acetyl acetate 384.0
    di(2-ethylhexyl) phthalate 231.05
    ethyl propionate 430.55
    nitromethane 612.65
    1,2-diethoxyethane 999.36
    benzonitrile 323.32
    trioctyl phosphate 186.32
    1-bromopropane 590.82
    gamma-valerolactone 1064.78
    n-decanol 435.12
    triethyl phosphate 215.63
    4-methyl-2-pentanol 682.42
    propionitrile 627.58
    vinylene carbonate 354.22
    1,1,2-trichlorotrifluoroethane 620.92
    DMS 287.13
    cumene 156.3
    2-octanol 470.7
    2-hexanone 624.79
    octyl acetate 359.15
    limonene 352.29
    1,2-dimethoxyethane 1469.63
    ethyl orthosilicate 260.64
    tributyl phosphate 237.55
    diacetone alcohol 691.38
    N,N-dimethylaniline 298.12
    acrylonitrile 442.36
    aniline 462.47
    1,3-propanediol 1171.36
    bromobenzene 234.89
    dibromomethane 584.19
    1,1,2,2-tetrachloroethane 614.1
    2-methyl-cyclohexyl acetate 430.98
    tetrabutyl urea 295.51
    diisobutyl methanol 420.5
    2-phenylethanol 466.39
    styrene 218.89
    dioctyl adipate 325.89
    dimethyl sulfate 167.26
    ethyl butyrate 523.91
    methyl lactate 328.76
    butyl lactate 383.14
    diethyl carbonate 295.89
    propanediol butyl ether 848.81
    triethyl orthoformate 458.03
    p-tert-butyltoluene 202.43
    methyl 4-tert-butylbenzoate 356.83
    morpholine 2210.77
    tert-butylamine 1413.89
    n-dodecanol 313.7
    dimethoxymethane 743.11
    ethylene carbonate 391.0
    cyrene 379.79
    2-ethoxyethyl acetate 478.17
    2-ethylhexyl acetate 579.18
    1,2,4-trichlorobenzene 267.74
    4-methylpyridine 651.23
    dibutyl ether 765.23
    2,6-dimethyl-4-heptanol 420.5
    DEF 774.88
    dimethyl isosorbide 720.73
    tetrachloroethylene 469.71
    eugenol 343.79
    triacetin 458.17
    span 80 708.31
    1,4-butanediol 438.66
    1,1-dichloroethane 554.25
    2-methyl-1-pentanol 925.91
    methyl formate 294.53
    2-methyl-1-butanol 1212.09
    n-decane 144.74
    butyronitrile 857.14
    3,7-dimethyl-1-octanol 625.24
    1-chlorooctane 342.45
    1-chlorotetradecane 128.42
    n-nonane 155.95
    undecane 96.2
    tert-butylcyclohexane 189.17
    cyclooctane 189.14
    cyclopentanol 862.9
    tetrahydropyran 1961.58
    tert-amyl methyl ether 1058.62
    2,5,8-trioxanonane 896.14
    1-hexene 1013.61
    2-isopropoxyethanol 798.25
    2,2,2-trifluoroethanol 216.44
    methyl butyrate 545.17

    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
Elsholtzia blanda (China) Elsholtzia blanda Benth., fam. Lamiaceae (Labiatae) 1.4%
Seafennel 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.26%
Ambrette seed (China) 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.04%
Thyme red (Portugal) 1 8007-46-3 Thymus zygis L. ssp. sylvestris (Hoffm. et Link) Morales, fam. Lamiaceae 0.67%
Thyme red (Portugal) 2 8007-46-3 Thymus zygis L. ssp. sylvestris (Hoffm. et Link) Morales, fam. Lamiaceae 0.25%
Michelia alba flower absolute (China) Michelia alba DC., fam. Magnoliaceae 0.15%
Ledum palustre (China) Ledum palustre L. var. angustum N. Busch, fam. Ericaceae 0.65%
Viburnum orientale leaf Viburnum orientale Pallas, fam. Caprifoliaceae 0.7%
Hyssop (Spain) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 1.12%
Cardamom, large (Nepalese) (India) 2 Amomum subulatum Roxb., fam. Zingiberaceae 0.17%
Ocimum gratissimum (Brazil) 2 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.19%
Thyme (France) 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 8.2%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.08%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Lime (Mexican, West Indian, Key) (Ivory Coast) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.01%
Lime (Mexican, West Indian, Key) 7 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.03%
Mentha longifolia (Israel) 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.15%
Ocimum gratissimum (Benin) 2 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.02%
Marjoram, spanish (Spain) 4a 8016-33-9 Thymus mastichina L., fam. Lamiaceae (Labiatae) 0.75%
Marjoram, spanish (Spain) 4b 8016-33-9 Thymus mastichina L., fam. Lamiaceae (Labiatae) 0.87%
Eucalyptus globulus (China) 4 residue 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Pepper, black (India) 6b free volatiles 8006-82-4 Piper nigrum L., fam. Piperaceae 2.0%
Lemongrass (Lagos) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.2%
Douglas fir (Bulgaria) Pseudotsuga menziesii (Mirbel) Franco, fam. Pinaceae 0.2%
Elaeoselinum gummiferum Elaeoselinum gummiferum (Desf.) Tutin, fam. Apiaceae (Umbelliferae) 0.01%
Hedyosmum bonplandianum (Costa Rica) Hedyosmum bonplandianum Kunth, fam. Chloranthaceae 0.05%
Schizogyne glaberrima (Spain/Canary Islands) Schizogyne glaberrima DC., fam. Asteraceae (Compositae) 0.01%
Cardamom, large (Nepalese) (India) 3 Amomum subulatum Roxb., fam. Zingiberaceae 0.2%