Rosmanol

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  • Identifiers

    CAS number
    80225-53-2

    Molecular formula
    C20H26O5

    SMILES
    CC(C)C1=C(C(=C2C(=C1)[C@@H]([C@@H]3[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.02%
    Phenolic 40.55%
    Spicy 37.68%
    Woody 33.86%
    Balsamic 26.27%
    Dry 25.19%
    Smoky 22.59%
    Cooling 21.46%
    Mint 20.26%
    Medicinal 20.0%

     

    Flavor
    Bitter 89.42%
    Bland 25.95%
    Cedarleaf 22.26%
    Sweet-like 20.44%
    Parsley 20.23%
    Odorless 20.13%
    Lovage 20.09%
    Ripe apricot 19.41%
    Red fruit 19.3%
    Eugenol 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.8 (neutral)

    Molecular weight
    346.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    958°C

    Flash point

    • 231.65 ˚C est.

  • Synonyms

    • Rosmanol
    • 80225-53-2
    • F25TV383OC
    • DTXSID80553423
    • 2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6,9-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10S,10aS)-
    • (1R,8S,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
    • 2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6,9-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4ar-(4aalpha,9beta,10alpha,10abeta))-
    • (6beta,7alpha)-7,11,12-Trihydroxy-6,20-epoxyabieta-8(14),9(11),12-trien-20-one
    • (1R,8S,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo(7.5.2.01,10.02,7)hexadeca-2,4,6-trien-15-one
    • RefChem:179925
    • DTXCID10504206
    • 1,3,4,9,10,10a-hexahydro-5,6,9-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10S,10aS)-
    • (4bR,8aS,9S,10S)-3,4,10-Trihydroxy-2-isopropyl-8,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epoxymethano)phenanthren-12-one
    • UNII-F25TV383OC
    • Rosmanol (Standard)
    • SCHEMBL459610
    • CHEMBL507166
    • orb1300127
    • HY-N5015R
    • HY-N5015
    • AKOS016004074
    • EBC-616706
    • AC-34511
    • DA-67287
    • FR167087
    • MS-25326
    • CS-0032078
    • D85077
    • Q27277536
    • 7alpha,11,12-Trihydroxy-6beta-6,20-epoxyabieta-8,11,13-trien-20-one
    • (1R,8S,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one
    • (1R,8S,9S,10S)-3,4,8-trihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
    • 2H-10,4A-(EPOXYMETHANO)PHENANTHREN-12-ONE, 1,3,4,9,10,10A-HEXAHYDRO-5,6,9-TRIHYDROXY-1,1-DIMETHYL-7-(1-METHYLETHYL)-, (4AR-(4A.ALPHA.,9.BETA.,10.ALPHA.,10A.BETA.))-
    • 33985-86-3
    • 80225-53-2

  • Applications

    Rosmanol (CAS 80225-53-2) is a natural polyphenolic diterpene that is studied as an antioxidant and stabilizer for cosmetics and personal care formulations, helping protect oils and active ingredients from oxidation; it is also considered as an antioxidant additive in household cleaning products to improve stability and shelf life; in industrial manufacturing, rosmanol is researched as a stabilizer for polymers and for coatings and inks; and it may be used as a potential intermediate or precursor in fragrance chemistry, depending on formulation and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.73
    methanol 54.27
    isopropanol 29.22
    water 0.23
    ethyl acetate 24.96
    n-propanol 31.02
    acetone 49.51
    n-butanol 31.95
    acetonitrile 14.36
    DMF 146.25
    toluene 12.67
    isobutanol 21.96
    1,4-dioxane 62.08
    methyl acetate 28.83
    THF 187.3
    2-butanone 43.79
    n-pentanol 18.64
    sec-butanol 16.07
    n-hexane 0.43
    ethylene glycol 19.72
    NMP 143.03
    cyclohexane 1.07
    DMSO 119.52
    n-butyl acetate 34.27
    n-octanol 11.81
    chloroform 43.9
    n-propyl acetate 20.03
    acetic acid 58.82
    dichloromethane 35.49
    cyclohexanone 88.88
    propylene glycol 18.06
    isopropyl acetate 28.55
    DMAc 118.66
    2-ethoxyethanol 46.23
    isopentanol 30.0
    n-heptane 0.57
    ethyl formate 25.44
    1,2-dichloroethane 34.53
    n-hexanol 28.97
    2-methoxyethanol 106.75
    isobutyl acetate 20.0
    tetrachloromethane 7.21
    n-pentyl acetate 33.87
    transcutol 51.64
    n-heptanol 20.76
    ethylbenzene 7.39
    MIBK 34.07
    2-propoxyethanol 92.7
    tert-butanol 32.22
    MTBE 13.95
    2-butoxyethanol 55.64
    propionic acid 29.64
    o-xylene 9.38
    formic acid 43.25
    diethyl ether 15.05
    m-xylene 11.55
    p-xylene 10.16
    chlorobenzene 19.4
    dimethyl carbonate 35.62
    n-octane 0.48
    formamide 57.6
    cyclopentanone 140.76
    2-pentanone 41.18
    anisole 16.55
    cyclopentyl methyl ether 40.53
    gamma-butyrolactone 125.51
    1-methoxy-2-propanol 82.68
    pyridine 55.58
    3-pentanone 26.68
    furfural 97.56
    n-dodecane 0.48
    diethylene glycol 90.63
    diisopropyl ether 5.38
    tert-amyl alcohol 18.74
    acetylacetone 54.12
    n-hexadecane 0.57
    acetophenone 31.11
    methyl propionate 31.33
    isopentyl acetate 40.86
    trichloroethylene 70.57
    n-nonanol 12.73
    cyclohexanol 26.27
    benzyl alcohol 30.97
    2-ethylhexanol 15.29
    isooctanol 17.94
    dipropyl ether 9.64
    1,2-dichlorobenzene 22.29
    ethyl lactate 24.5
    propylene carbonate 60.15
    n-methylformamide 70.28
    2-pentanol 15.39
    n-pentane 0.55
    1-propoxy-2-propanol 51.83
    1-methoxy-2-propyl acetate 57.39
    2-(2-methoxypropoxy) propanol 34.98
    mesitylene 7.26
    ε-caprolactone 69.93
    p-cymene 8.86
    epichlorohydrin 124.64
    1,1,1-trichloroethane 23.91
    2-aminoethanol 30.2
    morpholine-4-carbaldehyde 138.7
    sulfolane 161.82
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 50.7
    n-hexyl acetate 32.34
    isooctane 0.57
    2-(2-butoxyethoxy)ethanol 44.19
    sec-butyl acetate 16.91
    tert-butyl acetate 33.1
    decalin 1.07
    glycerin 48.51
    diglyme 73.3
    acrylic acid 37.75
    isopropyl myristate 12.72
    n-butyric acid 50.18
    acetyl acetate 25.83
    di(2-ethylhexyl) phthalate 19.81
    ethyl propionate 17.98
    nitromethane 77.27
    1,2-diethoxyethane 21.85
    benzonitrile 32.81
    trioctyl phosphate 17.09
    1-bromopropane 12.43
    gamma-valerolactone 169.48
    n-decanol 8.75
    triethyl phosphate 16.0
    4-methyl-2-pentanol 14.91
    propionitrile 21.02
    vinylene carbonate 59.44
    1,1,2-trichlorotrifluoroethane 92.5
    DMS 36.23
    cumene 6.72
    2-octanol 12.46
    2-hexanone 24.38
    octyl acetate 17.22
    limonene 9.87
    1,2-dimethoxyethane 62.59
    ethyl orthosilicate 15.0
    tributyl phosphate 16.28
    diacetone alcohol 54.49
    N,N-dimethylaniline 15.19
    acrylonitrile 34.99
    aniline 25.16
    1,3-propanediol 58.22
    bromobenzene 16.01
    dibromomethane 20.73
    1,1,2,2-tetrachloroethane 52.66
    2-methyl-cyclohexyl acetate 27.36
    tetrabutyl urea 24.15
    diisobutyl methanol 10.07
    2-phenylethanol 44.91
    styrene 7.07
    dioctyl adipate 19.27
    dimethyl sulfate 63.48
    ethyl butyrate 19.59
    methyl lactate 44.65
    butyl lactate 33.08
    diethyl carbonate 15.45
    propanediol butyl ether 36.22
    triethyl orthoformate 18.36
    p-tert-butyltoluene 8.53
    methyl 4-tert-butylbenzoate 37.95
    morpholine 75.87
    tert-butylamine 11.16
    n-dodecanol 6.01
    dimethoxymethane 89.17
    ethylene carbonate 49.89
    cyrene 58.13
    2-ethoxyethyl acetate 45.08
    2-ethylhexyl acetate 29.91
    1,2,4-trichlorobenzene 31.05
    4-methylpyridine 47.67
    dibutyl ether 7.74
    2,6-dimethyl-4-heptanol 10.07
    DEF 42.07
    dimethyl isosorbide 69.68
    tetrachloroethylene 38.41
    eugenol 43.04
    triacetin 31.37
    span 80 32.1
    1,4-butanediol 21.43
    1,1-dichloroethane 23.66
    2-methyl-1-pentanol 17.37
    methyl formate 60.19
    2-methyl-1-butanol 20.51
    n-decane 0.8
    butyronitrile 22.17
    3,7-dimethyl-1-octanol 12.77
    1-chlorooctane 5.05
    1-chlorotetradecane 2.16
    n-nonane 0.6
    undecane 0.59
    tert-butylcyclohexane 0.91
    cyclooctane 0.51
    cyclopentanol 39.74
    tetrahydropyran 41.96
    tert-amyl methyl ether 10.9
    2,5,8-trioxanonane 48.86
    1-hexene 2.49
    2-isopropoxyethanol 31.08
    2,2,2-trifluoroethanol 33.49
    methyl butyrate 25.41

    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