Guaiene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    88-84-6

    Molecular formula
    C15H24

    SMILES
    C[C@H]1CCC(=C(C)C)CC2=C1CC[C@@H]2C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1490.67
    • Carbowax: 1648.0

  • Odor profile

    Fragrance
    Woody 84.12%
    Sweet 69.43%
    Spicy 59.42%
    Balsamic 50.79%
    Dry 44.0%
    Amber 35.71%
    Herbal 35.29%
    Terpenic 35.04%
    Citrus 34.9%
    Powdery 33.61%

     

    Flavor
    Woody 74.83%
    Sweet 67.11%
    Wood 59.59%
    Spicy 50.89%
    Spice 46.23%
    Dry 45.08%
    Balsamic 39.4%
    Balsam 38.25%
    Pine 35.33%
    Powdery 34.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    10.15 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    286°C

    Flash point

    • 77.96 ˚C est.

    Solubility expt.

    • Insoluble in water, propylene glycol; Soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • 88-84-6
    • beta-Guaiene
    • GUAIENE
    • Guaia-1(5),7(11)-diene
    • .beta.-Guaiene
    • Guaiene, beta-
    • Guaiene(Technical)
    • (1S,4S)-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene
    • Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-cis)-
    • 1D018Q907T
    • (1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
    • Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S,4S)-
    • cis-.beta.-Guaiene
    • UNII-1D018Q907T
    • ??-Guaiene
    • EINECS 201-860-1
    • .beta.-cis-Guaiene
    • GUAIENE [FHFI]
    • DTXSID5052599
    • DTXSID401037341
    • (1S-cis)-1,2,3,4,5,6,7,8-Octahydro-7-isopropylidene-1,4-dimethylazulene
    • AKOS027288725
    • 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulene, (1S,cis)
    • AS-88401
    • CS-0203724
    • NS00012509
    • Q27252250
    • 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulene
    • 1,4-Dimethyl-7-(1-methylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene, (1S,cis)-
    • rel-(1R,4R)-1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)azulene
    • 372162-07-7

  • Applications

    Guaiene (CAS 88-84-6) is primarily used as a fragrance ingredient and fixative in perfumery, contributing an earthy, woody note reminiscent of patchouli and helping to stabilize other aroma compounds in blends. It is also used in cosmetics and personal care as a scent component to increase lasting power. In household and cleaning products, guaiene appears as a base fragrance note to improve overall odor. In industrial manufacturing, it is commonly used as an intermediate in the synthesis of other aroma chemicals. It can be viewed as a fragrance ingredient and a synthetic intermediate for aroma compounds across multiple industries, subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 107.32
    methanol 45.7
    isopropanol 133.99
    water 0.07
    ethyl acetate 411.1
    n-propanol 144.93
    acetone 296.86
    n-butanol 186.21
    acetonitrile 196.04
    DMF 238.23
    toluene 768.84
    isobutanol 138.48
    1,4-dioxane 918.21
    methyl acetate 312.39
    THF 1304.95
    2-butanone 415.85
    n-pentanol 140.89
    sec-butanol 149.29
    n-hexane 152.0
    ethylene glycol 8.13
    NMP 324.96
    cyclohexane 347.28
    DMSO 144.94
    n-butyl acetate 795.62
    n-octanol 197.65
    chloroform 1225.89
    n-propyl acetate 307.55
    acetic acid 73.19
    dichloromethane 1133.9
    cyclohexanone 757.01
    propylene glycol 20.9
    isopropyl acetate 339.7
    DMAc 270.8
    2-ethoxyethanol 120.22
    isopentanol 197.07
    n-heptane 287.71
    ethyl formate 184.84
    1,2-dichloroethane 591.93
    n-hexanol 359.79
    2-methoxyethanol 137.99
    isobutyl acetate 294.74
    tetrachloromethane 312.14
    n-pentyl acetate 398.85
    transcutol 620.52
    n-heptanol 192.85
    ethylbenzene 395.87
    MIBK 301.9
    2-propoxyethanol 300.59
    tert-butanol 196.63
    MTBE 432.45
    2-butoxyethanol 214.4
    propionic acid 98.1
    o-xylene 409.91
    formic acid 8.12
    diethyl ether 461.55
    m-xylene 462.03
    p-xylene 530.03
    chlorobenzene 609.63
    dimethyl carbonate 102.81
    n-octane 96.18
    formamide 20.93
    cyclopentanone 775.0
    2-pentanone 371.57
    anisole 474.47
    cyclopentyl methyl ether 594.18
    gamma-butyrolactone 569.94
    1-methoxy-2-propanol 154.03
    pyridine 896.64
    3-pentanone 335.98
    furfural 413.33
    n-dodecane 65.74
    diethylene glycol 99.97
    diisopropyl ether 208.1
    tert-amyl alcohol 185.27
    acetylacetone 391.02
    n-hexadecane 78.51
    acetophenone 398.82
    methyl propionate 253.03
    isopentyl acetate 689.25
    trichloroethylene 1007.31
    n-nonanol 198.96
    cyclohexanol 266.04
    benzyl alcohol 231.08
    2-ethylhexanol 351.48
    isooctanol 181.07
    dipropyl ether 677.09
    1,2-dichlorobenzene 517.37
    ethyl lactate 88.05
    propylene carbonate 374.85
    n-methylformamide 75.74
    2-pentanol 149.81
    n-pentane 124.6
    1-propoxy-2-propanol 302.98
    1-methoxy-2-propyl acetate 464.66
    2-(2-methoxypropoxy) propanol 263.23
    mesitylene 310.36
    ε-caprolactone 576.44
    p-cymene 383.22
    epichlorohydrin 643.65
    1,1,1-trichloroethane 751.83
    2-aminoethanol 25.81
    morpholine-4-carbaldehyde 391.35
    sulfolane 417.78
    2,2,4-trimethylpentane 65.76
    2-methyltetrahydrofuran 945.0
    n-hexyl acetate 468.79
    isooctane 65.73
    2-(2-butoxyethoxy)ethanol 318.04
    sec-butyl acetate 278.08
    tert-butyl acetate 385.0
    decalin 158.02
    glycerin 25.85
    diglyme 636.85
    acrylic acid 68.15
    isopropyl myristate 265.8
    n-butyric acid 222.87
    acetyl acetate 294.6
    di(2-ethylhexyl) phthalate 199.85
    ethyl propionate 277.83
    nitromethane 152.33
    1,2-diethoxyethane 627.77
    benzonitrile 427.46
    trioctyl phosphate 146.54
    1-bromopropane 585.23
    gamma-valerolactone 640.52
    n-decanol 155.5
    triethyl phosphate 205.07
    4-methyl-2-pentanol 127.24
    propionitrile 277.09
    vinylene carbonate 339.56
    1,1,2-trichlorotrifluoroethane 218.27
    DMS 291.17
    cumene 274.95
    2-octanol 156.31
    2-hexanone 335.31
    octyl acetate 279.95
    limonene 465.43
    1,2-dimethoxyethane 459.76
    ethyl orthosilicate 220.69
    tributyl phosphate 175.33
    diacetone alcohol 234.34
    N,N-dimethylaniline 323.1
    acrylonitrile 237.6
    aniline 358.48
    1,3-propanediol 62.69
    bromobenzene 800.87
    dibromomethane 836.74
    1,1,2,2-tetrachloroethane 731.24
    2-methyl-cyclohexyl acetate 428.56
    tetrabutyl urea 234.29
    diisobutyl methanol 220.95
    2-phenylethanol 366.08
    styrene 454.8
    dioctyl adipate 306.23
    dimethyl sulfate 120.26
    ethyl butyrate 533.93
    methyl lactate 68.28
    butyl lactate 183.22
    diethyl carbonate 318.37
    propanediol butyl ether 136.25
    triethyl orthoformate 365.84
    p-tert-butyltoluene 350.78
    methyl 4-tert-butylbenzoate 337.11
    morpholine 768.22
    tert-butylamine 184.01
    n-dodecanol 129.04
    dimethoxymethane 264.31
    ethylene carbonate 313.38
    cyrene 212.35
    2-ethoxyethyl acetate 429.58
    2-ethylhexyl acetate 640.58
    1,2,4-trichlorobenzene 568.73
    4-methylpyridine 852.12
    dibutyl ether 471.89
    2,6-dimethyl-4-heptanol 220.95
    DEF 327.52
    dimethyl isosorbide 554.09
    tetrachloroethylene 464.21
    eugenol 250.93
    triacetin 323.8
    span 80 251.29
    1,4-butanediol 29.34
    1,1-dichloroethane 588.63
    2-methyl-1-pentanol 171.96
    methyl formate 73.04
    2-methyl-1-butanol 173.26
    n-decane 114.38
    butyronitrile 344.44
    3,7-dimethyl-1-octanol 224.08
    1-chlorooctane 282.18
    1-chlorotetradecane 126.48
    n-nonane 111.98
    undecane 82.94
    tert-butylcyclohexane 131.37
    cyclooctane 148.89
    cyclopentanol 235.01
    tetrahydropyran 1138.83
    tert-amyl methyl ether 293.17
    2,5,8-trioxanonane 454.69
    1-hexene 344.17
    2-isopropoxyethanol 132.82
    2,2,2-trifluoroethanol 28.73
    methyl butyrate 328.58

    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
Ginger (Sri Lanka) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Ginger (Sri Lanka) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Ginger (Sri Lanka) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Ginger (Sri Lanka) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Hinoki leaf Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.3%
Piper hancei (China) Piper hancei Maxim, fam. Piperaceae 1.96%
Scullcap Scutellaria lateriflora L., fam. Lamiaceae (Labiatae) 7.1%
Schinus molle berry 68917-52-2 Schinus molle L., fam. Anarcadiaceae 0.04%
Schinus molle leaf 68917-52-2 Schinus molle L., fam. Anarcadiaceae 0.01%
Cajuput (Vietnam) 2 8008-98-8 Melaleuca cajuputi Powell, var. cajuputi, fam. Myrtaceae 0.3%
Ziziphora clinopodioides (Turkey) 2 Ziziphora clinopodioides Lam., fam. Lamiaceae (Labiatae) 2.58%
Aframomum daniellii Aframomum daniellii (Hook f.) K. Schum., fam. Zingiberaceae 0.8%
Aframomum sulcatum Aframomum sulcatum (Oliv. and Hanb.) K. Schum., fam. Zingiberaceae 2.4%
Pinus sylvestris 3 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 1.0%
Pinus sylvestris 4 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.6%
Pinus sylvestris 6 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.49%
Geranium (China, Yunnan) 5 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.58%
Geranium (China, Beijing) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.75%
Geranium (China, Chengdu) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 4.39%
Eucalyptus globulus (China) 2 fruit 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.31%
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.03%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.03%
Myrtle leaf (France) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.02%
Cinnamomum parthenoxylum (China) 1e Cinnamomum parthenoxylum (Jack) Nees, fam. Lauraceae 3.79%
Aglaia duperreana flower (China) Aglaia duperreana Pierre, fam. Meliaceae 1.14%
Copaiba (Colombia) 8001-61-4 Copaifera officinalis L., fam. Legumiosae (Papilionaceae) 0.47%
Myrica cerifera leaf (Cuba) Myrica cerifera L., fam. Myricaceae 10.19%
Pimento (Allspice) (Cuba) 2 (leaf) 8006-77-7 Pimenta dioica (L.) Merr. (P. officinalis Lindl.), fam. Myrtaceae 0.27%
Calamus (China) 1c root 8015-79-0 Acorus calamus L., fam. Araceae 0.11%
Calamus (China) 1a leaf 8015-79-0 Acorus calamus L., fam. Araceae 0.8%
Calamus (China) 1b rhizome 8015-79-0 Acorus calamus L., fam. Araceae 0.9%
Cinnamon fruit (India) 1 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.4%
Lippia alba (Cuba) 1b leaf Lippia alba (Mill.) N.E. Brown, fam. Verbenaceae 5.59%
Lippia alba (Cuba) 1c leaf Lippia alba (Mill.) N.E. Brown, fam. Verbenaceae 24.77%
Lime (Mexican, West Indian, Key) (Peru) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.09%
Lime (Mexican, West Indian, Key) (Ivory Coast) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.08%
Canella winterana (Cuba) 2 Canella winterana (L.) Gaertn., fam. Canellaceae 0.4%
Teucrium heterophyllum (Canary Islands) Teucrium heterophyllum L'Her. (T. canariensis), fam. Lamiaceae (Labiatae) 2.3%
Eugenia nitida (Brazil) Eugenia nitida Camb., fam. Myrtaceae 2.0%
Rollinia mucosa fruit Rollinia mucosa (Jacq.) Baill, fam. Annonaceae 0.1%
Pinus sylvestris (Estonia) 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.15%
Eucalyptus globulus (Spain) 2b young leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Salvia pomifera Salvia pomifera L. ssp. calycina (Sm.) Hayek, fam. Lamiaceae (Labiatae) 0.3%
Geranium (Cuba) 8000-46-2 Pelargonium species, fam. Geraniaceae 0.2%
Marihuana (Austria) Cannabis sativa L., fam. Cannabinaceae 0.7%
Baccharis uncinella (Brazil) Baccharis uncinella DC., fam. Asteraceae (Compositae) 0.3%
Eugenia platysema (Brazil) Eugenia platysema O. Berg, fam. Myrtaceae 2.2%
Murraya koenigii (India) Murraya koenigii (L.) Spreng., fam. Rutaceae 0.4%
Pepper, black (India) 7a cv. Kottanadan Piper nigrum L., cultivar Kottanadan, fam. Piperaceae 0.9%
Pepper, black (India) 7c cv. Kuthiravally Piper nigrum L., cultivar Kuthiravally, fam. Piperaceae 0.25%