Carnosol

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  • Identifiers

    CAS number
    5957-80-2

    Molecular formula
    C20H26O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 44.09%
    Spicy 42.51%
    Woody 41.68%
    Odorless 31.87%
    Balsamic 29.93%
    Dry 29.14%
    Herbal 23.79%
    Medicinal 23.02%
    Amber 22.48%
    Mint 22.36%

     

    Flavor
    Bitter 87.73%
    Bland 22.98%
    Cedarleaf 22.19%
    Parsley 20.49%
    Lovage 20.2%
    Ripe apricot 19.8%
    Red fruit 19.66%
    Eugenol 19.07%
    Sweet-like 18.97%
    Camphor 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.97 (neutral)

    Molecular weight
    330.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    781°C

    Flash point

    • 206.43 ˚C est.

  • Synonyms

    • carnosol
    • 5957-80-2
    • 483O455CKD
    • DTXSID80904451
    • NSC-39143
    • 2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR-(4aalpha,9alpha,10abeta))-
    • (1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
    • (1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo(6.6.2.0^(1,10).0^(2,7))hexadeca-2,4,6-trien-15-one
    • (1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6-trien-15-one
    • (1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo(6.6.2.01,10.02,7)hexadeca-2,4,6-trien-15-one
    • RefChem:123789
    • DTXCID301333605
    • MFCD02752467
    • Picrosalvin
    • CHEMBL218693
    • (4aR,9S,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydro-1H-9,4a-(epoxymethano)phenanthren-12-one
    • 1,3,4,9,10,10aS-Hexahydro-5,6-dihydroxy-1,1-dimethyl-7-isopropyl-2H-9S,4aR-(epoxymethano)phenanthren-12-one
    • UNII-483O455CKD
    • CCRIS 7122
    • HSDB 7680
    • Carnosol (Standard)
    • CARNOSOL [HSDB]
    • CARNOSOL [MI]
    • SCHEMBL42365
    • Carnosol, analytical standard
    • CHEBI:3429
    • SCHEMBL30234433
    • HY-N0643R
    • XUSYGBPHQBWGAD-PJSUUKDQSA-N
    • HY-N0643
    • MSK40210
    • BDBM50213683
    • NSC 39143
    • s9127
    • AKOS015897159
    • CCG-208130
    • FC41666
    • AC-34727
    • DA-51592
    • SY068899
    • CS-0009670
    • NS00126746
    • C09069
    • CARNOSOL (CONSTITUENT OF ROSEMARY) [DSC]
    • 957C802
    • BRD-K67265981-001-01-5
    • Q16634054
    • 11,12-Dihydroxy-7beta-7,20-epoxyabieta-8(14),9(11),12-trien-20-one
    • (1R,8S,10S)-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
    • (4aR,9S,10aS)-1,3,4,9,10,10a-Hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-2H-9,4a-(epoxymethano)phenanthren-12-one
    • 2H-9,4A-(EPOXYMETHANO)PHENANTHREN-12-ONE, 1,3,4,9,10,10A-HEXAHYDRO-5,6-DIHYDROXY-1,1-DIMETHYL-7-(1-METHYLETHYL)-, (4AR,9S,10AS)-
    • 2H-9,4A-(EPOXYMETHANO)PHENANTHREN-12-ONE, 1,3,4,9,10,10A-HEXAHYDRO-5,6-DIHYDROXY-1,1-DIMETHYL-7-(1-METHYLETHYL)-, (4AR-(4A.ALPHA.,9.ALPHA.,10A.BETA.))-
    • PODOCARPA-8,11,13-TRIEN-17-OIC ACID, 7.BETA.,11,12-TRIHYDROXY-13-ISOPROPYL-, 17,7-LACTONE
    • carnosol

  • Applications

    Carnosol (CAS 5957-80-2) is a rosemary-derived diterpenoid phenol used as a natural antioxidant in cosmetics and personal care formulations to stabilize ingredients and extend shelf life; as a component of rosemary extract it is employed as a natural antioxidant and preservative in food processing; due to its antioxidant activity it is often evaluated for inclusion in nutraceuticals and dietary supplements; it may be explored as a stabilizer in polymers and plastics to improve oxidative stability of materials; formulation developers may consider using carnosol in household products and cleaners depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.86
    methanol 25.45
    isopropanol 22.21
    water 0.08
    ethyl acetate 28.07
    n-propanol 26.07
    acetone 40.2
    n-butanol 27.51
    acetonitrile 9.47
    DMF 126.17
    toluene 23.81
    isobutanol 19.33
    1,4-dioxane 66.53
    methyl acetate 29.54
    THF 157.94
    2-butanone 50.01
    n-pentanol 15.34
    sec-butanol 12.61
    n-hexane 0.34
    ethylene glycol 10.34
    NMP 127.84
    cyclohexane 1.07
    DMSO 73.29
    n-butyl acetate 38.94
    n-octanol 8.96
    chloroform 59.88
    n-propyl acetate 20.58
    acetic acid 34.74
    dichloromethane 44.55
    cyclohexanone 96.77
    propylene glycol 9.92
    isopropyl acetate 31.19
    DMAc 111.42
    2-ethoxyethanol 33.9
    isopentanol 27.87
    n-heptane 0.4
    ethyl formate 24.99
    1,2-dichloroethane 43.18
    n-hexanol 27.09
    2-methoxyethanol 78.64
    isobutyl acetate 21.96
    tetrachloromethane 8.0
    n-pentyl acetate 34.53
    transcutol 62.69
    n-heptanol 16.97
    ethylbenzene 9.33
    MIBK 35.21
    2-propoxyethanol 82.45
    tert-butanol 25.67
    MTBE 12.15
    2-butoxyethanol 48.97
    propionic acid 24.05
    o-xylene 14.25
    formic acid 19.19
    diethyl ether 13.63
    m-xylene 17.99
    p-xylene 13.7
    chlorobenzene 31.15
    dimethyl carbonate 32.1
    n-octane 0.32
    formamide 29.49
    cyclopentanone 140.67
    2-pentanone 46.88
    anisole 19.74
    cyclopentyl methyl ether 41.93
    gamma-butyrolactone 121.57
    1-methoxy-2-propanol 63.63
    pyridine 69.99
    3-pentanone 31.16
    furfural 98.54
    n-dodecane 0.38
    diethylene glycol 69.45
    diisopropyl ether 5.76
    tert-amyl alcohol 14.08
    acetylacetone 52.92
    n-hexadecane 0.48
    acetophenone 32.95
    methyl propionate 34.4
    isopentyl acetate 45.69
    trichloroethylene 92.65
    n-nonanol 10.27
    cyclohexanol 25.39
    benzyl alcohol 32.79
    2-ethylhexanol 14.85
    isooctanol 15.11
    dipropyl ether 8.66
    1,2-dichlorobenzene 31.11
    ethyl lactate 21.14
    propylene carbonate 60.2
    n-methylformamide 53.73
    2-pentanol 12.8
    n-pentane 0.49
    1-propoxy-2-propanol 44.85
    1-methoxy-2-propyl acetate 57.96
    2-(2-methoxypropoxy) propanol 34.61
    mesitylene 10.31
    ε-caprolactone 73.95
    p-cymene 10.09
    epichlorohydrin 134.46
    1,1,1-trichloroethane 30.95
    2-aminoethanol 18.09
    morpholine-4-carbaldehyde 130.04
    sulfolane 138.41
    2,2,4-trimethylpentane 0.53
    2-methyltetrahydrofuran 47.73
    n-hexyl acetate 30.81
    isooctane 0.6
    2-(2-butoxyethoxy)ethanol 45.87
    sec-butyl acetate 18.63
    tert-butyl acetate 35.87
    decalin 1.08
    glycerin 27.34
    diglyme 75.38
    acrylic acid 30.18
    isopropyl myristate 13.42
    n-butyric acid 46.14
    acetyl acetate 26.52
    di(2-ethylhexyl) phthalate 20.1
    ethyl propionate 19.58
    nitromethane 52.77
    1,2-diethoxyethane 23.8
    benzonitrile 37.56
    trioctyl phosphate 15.93
    1-bromopropane 14.42
    gamma-valerolactone 173.33
    n-decanol 7.52
    triethyl phosphate 17.6
    4-methyl-2-pentanol 13.35
    propionitrile 19.36
    vinylene carbonate 63.2
    1,1,2-trichlorotrifluoroethane 81.97
    DMS 38.13
    cumene 7.86
    2-octanol 10.0
    2-hexanone 22.89
    octyl acetate 16.86
    limonene 10.27
    1,2-dimethoxyethane 51.17
    ethyl orthosilicate 16.47
    tributyl phosphate 16.33
    diacetone alcohol 49.64
    N,N-dimethylaniline 16.65
    acrylonitrile 31.04
    aniline 35.01
    1,3-propanediol 41.9
    bromobenzene 26.97
    dibromomethane 25.56
    1,1,2,2-tetrachloroethane 71.04
    2-methyl-cyclohexyl acetate 28.0
    tetrabutyl urea 23.29
    diisobutyl methanol 9.86
    2-phenylethanol 46.42
    styrene 9.72
    dioctyl adipate 20.02
    dimethyl sulfate 52.78
    ethyl butyrate 21.24
    methyl lactate 35.86
    butyl lactate 32.65
    diethyl carbonate 17.03
    propanediol butyl ether 30.27
    triethyl orthoformate 19.57
    p-tert-butyltoluene 9.75
    methyl 4-tert-butylbenzoate 38.22
    morpholine 73.73
    tert-butylamine 9.76
    n-dodecanol 5.46
    dimethoxymethane 78.34
    ethylene carbonate 52.07
    cyrene 50.95
    2-ethoxyethyl acetate 48.43
    2-ethylhexyl acetate 34.11
    1,2,4-trichlorobenzene 41.8
    4-methylpyridine 66.69
    dibutyl ether 7.02
    2,6-dimethyl-4-heptanol 9.86
    DEF 44.54
    dimethyl isosorbide 71.07
    tetrachloroethylene 46.65
    eugenol 40.92
    triacetin 31.48
    span 80 30.19
    1,4-butanediol 13.61
    1,1-dichloroethane 29.42
    2-methyl-1-pentanol 15.5
    methyl formate 44.24
    2-methyl-1-butanol 18.97
    n-decane 0.59
    butyronitrile 20.16
    3,7-dimethyl-1-octanol 11.88
    1-chlorooctane 4.31
    1-chlorotetradecane 2.12
    n-nonane 0.4
    undecane 0.46
    tert-butylcyclohexane 0.95
    cyclooctane 0.49
    cyclopentanol 31.59
    tetrahydropyran 46.88
    tert-amyl methyl ether 10.29
    2,5,8-trioxanonane 51.04
    1-hexene 2.26
    2-isopropoxyethanol 26.09
    2,2,2-trifluoroethanol 20.38
    methyl butyrate 26.18

    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