Chrysanthenol

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  • Identifiers

    CAS number
    55722-60-6

    Molecular formula
    C10H16O

    SMILES
    CC1=CCC2C(C1C2(C)C)O

    Retention indicies (RI)

    • DB5: 1162.5
    • Carbowax: 1762.5

  • Odor profile

    Herbal 80.61%
    Mint 65.01%
    Spicy 62.46%
    Woody 60.86%
    Camphoreous 59.7%
    Sweet 55.78%
    Pine 53.16%
    Fresh 52.27%
    Cooling 48.64%
    Balsamic 44.37%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    223°C

    Flash point est.
    82.32 ˚C

  • Synonyms

    • Chrysanthenol
    • cis-Chrysanthenol
    • endo-Pin-2-en-7-ol
    • 2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
    • SCHEMBL9148678
    • IRZWAJHUWGZMMT-UHFFFAOYSA-N
    • Q67879830
    • Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, (1.alpha.,5.alpha.,6.alpha.)-

  • Applications

    Chrysanthenol (CAS 55722-60-6) is a bicyclic monoterpenoid alcohol used mainly in R&D as a synthesis intermediate and fragrance ingredient: a substrate to prepare esters/ethers (profragrances) for fine fragrances, personal care and home care; a chiral building block to access terpenoid derivatives, cyclopropanecarboxylates and pyrethroid-related scaffolds in drug and agro discovery; an analytical/reference material for metabolite profiling and terpenoid biosynthesis studies; and a candidate for evaluating typical monoterpene bioactivities (odour, insect-repellent, antimicrobial) to develop additives, semiochemicals and delivery systems, with attention to formulation stability (limiting volatility/oxidation via stabilizers and suitable carriers) and compliance with applicable safety regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 423.69
    methanol 529.93
    isopropanol 279.44
    water 10.13
    ethyl acetate 263.83
    n-propanol 322.26
    acetone 311.93
    n-butanol 273.66
    acetonitrile 399.41
    DMF 225.47
    toluene 149.47
    isobutanol 195.36
    1,4-dioxane 662.19
    methyl acetate 257.85
    THF 864.16
    2-butanone 223.03
    n-pentanol 134.41
    sec-butanol 177.97
    n-hexane 34.66
    ethylene glycol 101.32
    NMP 187.78
    cyclohexane 57.92
    DMSO 199.29
    n-butyl acetate 180.35
    n-octanol 113.04
    chloroform 492.93
    n-propyl acetate 122.77
    acetic acid 297.45
    dichloromethane 383.64
    cyclohexanone 262.26
    propylene glycol 100.18
    isopropyl acetate 164.86
    DMAc 120.96
    2-ethoxyethanol 199.07
    isopentanol 197.49
    n-heptane 41.27
    ethyl formate 177.99
    1,2-dichloroethane 229.52
    n-hexanol 268.71
    2-methoxyethanol 405.67
    isobutyl acetate 90.35
    tetrachloromethane 116.23
    n-pentyl acetate 111.26
    transcutol 567.03
    n-heptanol 128.71
    ethylbenzene 62.49
    MIBK 144.26
    2-propoxyethanol 383.68
    tert-butanol 279.63
    MTBE 235.52
    2-butoxyethanol 199.87
    propionic acid 205.89
    o-xylene 82.18
    formic acid 195.75
    diethyl ether 342.57
    m-xylene 118.56
    p-xylene 79.38
    chlorobenzene 146.64
    dimethyl carbonate 94.59
    n-octane 17.23
    formamide 226.2
    cyclopentanone 355.92
    2-pentanone 212.58
    anisole 119.36
    cyclopentyl methyl ether 311.09
    gamma-butyrolactone 421.71
    1-methoxy-2-propanol 297.37
    pyridine 283.62
    3-pentanone 147.09
    furfural 266.32
    n-dodecane 12.79
    diethylene glycol 283.84
    diisopropyl ether 113.59
    tert-amyl alcohol 159.56
    acetylacetone 201.16
    n-hexadecane 14.42
    acetophenone 89.78
    methyl propionate 187.72
    isopentyl acetate 155.68
    trichloroethylene 367.26
    n-nonanol 98.45
    cyclohexanol 176.8
    benzyl alcohol 90.29
    2-ethylhexanol 123.0
    isooctanol 98.16
    dipropyl ether 159.59
    1,2-dichlorobenzene 124.99
    ethyl lactate 70.31
    propylene carbonate 193.96
    n-methylformamide 251.57
    2-pentanol 172.88
    n-pentane 54.43
    1-propoxy-2-propanol 236.47
    1-methoxy-2-propyl acetate 202.29
    2-(2-methoxypropoxy) propanol 146.1
    mesitylene 78.06
    ε-caprolactone 233.4
    p-cymene 58.1
    epichlorohydrin 402.22
    1,1,1-trichloroethane 246.82
    2-aminoethanol 185.3
    morpholine-4-carbaldehyde 268.6
    sulfolane 262.1
    2,2,4-trimethylpentane 23.22
    2-methyltetrahydrofuran 418.02
    n-hexyl acetate 156.96
    isooctane 28.29
    2-(2-butoxyethoxy)ethanol 219.97
    sec-butyl acetate 89.77
    tert-butyl acetate 175.04
    decalin 25.05
    glycerin 151.68
    diglyme 340.6
    acrylic acid 177.08
    isopropyl myristate 66.97
    n-butyric acid 246.49
    acetyl acetate 164.23
    di(2-ethylhexyl) phthalate 63.21
    ethyl propionate 113.17
    nitromethane 402.66
    1,2-diethoxyethane 219.36
    benzonitrile 134.54
    trioctyl phosphate 54.2
    1-bromopropane 181.84
    gamma-valerolactone 413.58
    n-decanol 72.78
    triethyl phosphate 58.44
    4-methyl-2-pentanol 115.17
    propionitrile 266.62
    vinylene carbonate 199.83
    1,1,2-trichlorotrifluoroethane 201.1
    DMS 120.42
    cumene 50.68
    2-octanol 80.66
    2-hexanone 116.53
    octyl acetate 81.28
    limonene 76.73
    1,2-dimethoxyethane 283.46
    ethyl orthosilicate 61.2
    tributyl phosphate 59.46
    diacetone alcohol 174.84
    N,N-dimethylaniline 75.26
    acrylonitrile 260.6
    aniline 166.87
    1,3-propanediol 251.13
    bromobenzene 143.8
    dibromomethane 282.05
    1,1,2,2-tetrachloroethane 246.35
    2-methyl-cyclohexyl acetate 93.15
    tetrabutyl urea 63.41
    diisobutyl methanol 83.36
    2-phenylethanol 143.08
    styrene 65.38
    dioctyl adipate 76.06
    dimethyl sulfate 99.6
    ethyl butyrate 118.47
    methyl lactate 101.22
    butyl lactate 90.89
    diethyl carbonate 80.66
    propanediol butyl ether 148.83
    triethyl orthoformate 92.1
    p-tert-butyltoluene 61.81
    methyl 4-tert-butylbenzoate 119.34
    morpholine 560.97
    tert-butylamine 203.24
    n-dodecanol 55.71
    dimethoxymethane 298.5
    ethylene carbonate 178.91
    cyrene 105.08
    2-ethoxyethyl acetate 164.72
    2-ethylhexyl acetate 118.22
    1,2,4-trichlorobenzene 135.2
    4-methylpyridine 219.39
    dibutyl ether 111.1
    2,6-dimethyl-4-heptanol 83.36
    DEF 149.9
    dimethyl isosorbide 203.72
    tetrachloroethylene 193.97
    eugenol 111.53
    triacetin 123.35
    span 80 127.71
    1,4-butanediol 75.72
    1,1-dichloroethane 263.58
    2-methyl-1-pentanol 100.32
    methyl formate 203.41
    2-methyl-1-butanol 160.34
    n-decane 23.08
    butyronitrile 250.18
    3,7-dimethyl-1-octanol 104.53
    1-chlorooctane 69.57
    1-chlorotetradecane 29.09
    n-nonane 22.4
    undecane 16.68
    tert-butylcyclohexane 25.81
    cyclooctane 27.76
    cyclopentanol 206.23
    tetrahydropyran 493.83
    tert-amyl methyl ether 140.67
    2,5,8-trioxanonane 220.25
    1-hexene 79.79
    2-isopropoxyethanol 134.97
    2,2,2-trifluoroethanol 136.68
    methyl butyrate 122.24

    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
Artemisia vestita (India) Artemisia vestita Wall. ex Dc., fam. Asteraceae (Compositae) 0.38%
Artemisia moorcroftiana Artemisia moorcroftiana, fam. Asteraceae (Compositae) 1.4%
Annual wormwood (China) 2a 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.3%
Annual wormwood (China) 2b 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.2%
Annual wormwood (Vietnam) 2a 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.5%
Annual wormwood (Vietnam) 2b 84775-74-6 Annua artemisia L., fam. Asteraceae (Compositae) 0.05%
Yarrow (Greece) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.2%
Wormwood (Mugwort) Spain 2a leaf 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 3.7%
Wormwood (Mugwort) Spain 2b flowering top 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 3.5%
Pinus mugo (Dwarf pine) 3 (Greece) 8000-26-8 Pinus mugo Turra, fam. Pinaceae 1.0%
Inula verbascifolia ssp. parnassica Inula verbascifolia Hausskn., ssp. parnassia Tutin, fam. Asteraceae 17.3%
Salvia tomentosa (Turkey) leaf Salvia tomentosa Mill., fam. Lamiaceae (Labiatae) 0.1%
Croton jimenezii (Costa Rica) Croton jimenezii Standl. et Valerio, fam. Euphorbiaceae 0.55%
Armoise (Algeria) 1b thujone type 8008-93-3 Artemisia herba-albe Asso, fam. Asteraceae (Compositae) 0.5%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 0.01%
Argyranthemum adauctum ssp. gracile Argyranthemum adauctum ssp.gracile Humphries, fam. Asteraceae (Compositae) 0.9%
Armoise (Spain) ssp. valentina 8008-93-3 Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl., fam. Asteraceae 0.5%
Armoise (Algeria) 1a camphor type 8008-93-3 Artemisia herba-alba Asso, fam. Asteraceae (Compositae) 0.41%