Rosmaricine

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  • Identifiers

    CAS number
    3650-11-1

    Molecular formula
    C20H27NO4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.46%
    Phenolic 33.7%
    Spicy 33.38%
    Woody 28.78%
    Cooling 25.43%
    Dry 21.81%
    Smoky 21.15%
    Mint 20.58%
    Balsamic 20.17%
    Burnt 19.47%

     

    Flavor
    Bitter 90.04%
    Bland 24.87%
    Cedarleaf 22.62%
    Odorless 21.09%
    Sweet-like 20.2%
    Lovage 19.92%
    Parsley 19.91%
    Ripe apricot 19.29%
    Red fruit 19.07%
    Heather 18.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.66 (neutral)

    Molecular weight
    345.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    933°C

    Flash point

    • 244.99 ˚C est.

  • Synonyms

    • 3650-11-1
    • RefChem:930894
    • 8-amino-3,4-dihydroxy-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
    • Rosmaricine
    • 3650-11-1

  • Applications

    Rosmaricine (CAS 3650-11-1) is a rosemary-derived aroma compound that can serve as an odorant and fragrance ingredient as well as a chemical intermediate. In practice, it may be used as an odorant/fragrance component in perfumery and cosmetics/personal care, and it is often evaluated for use in flavor systems as a subtle aromatic contributor. It can also act as an intermediate or additive in industrial manufacturing, coatings/inks, and household products to impart aroma or support formulation, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.93
    methanol 41.58
    isopropanol 16.83
    water 0.51
    ethyl acetate 12.56
    n-propanol 19.38
    acetone 24.33
    n-butanol 18.3
    acetonitrile 8.59
    DMF 70.61
    toluene 4.5
    isobutanol 12.73
    1,4-dioxane 27.44
    methyl acetate 13.72
    THF 81.37
    2-butanone 22.12
    n-pentanol 11.95
    sec-butanol 8.18
    n-hexane 0.15
    ethylene glycol 19.26
    NMP 87.91
    cyclohexane 0.34
    DMSO 78.05
    n-butyl acetate 19.11
    n-octanol 5.01
    chloroform 30.92
    n-propyl acetate 10.26
    acetic acid 51.24
    dichloromethane 24.25
    cyclohexanone 47.58
    propylene glycol 15.26
    isopropyl acetate 12.71
    DMAc 65.91
    2-ethoxyethanol 32.7
    isopentanol 16.18
    n-heptane 0.19
    ethyl formate 19.09
    1,2-dichloroethane 19.72
    n-hexanol 16.53
    2-methoxyethanol 80.93
    isobutyl acetate 10.21
    tetrachloromethane 5.29
    n-pentyl acetate 18.32
    transcutol 28.12
    n-heptanol 11.75
    ethylbenzene 2.8
    MIBK 15.73
    2-propoxyethanol 63.26
    tert-butanol 15.74
    MTBE 3.84
    2-butoxyethanol 38.44
    propionic acid 20.19
    o-xylene 3.49
    formic acid 51.1
    diethyl ether 4.82
    m-xylene 4.28
    p-xylene 4.15
    chlorobenzene 10.55
    dimethyl carbonate 19.27
    n-octane 0.15
    formamide 52.17
    cyclopentanone 74.97
    2-pentanone 19.85
    anisole 7.16
    cyclopentyl methyl ether 14.5
    gamma-butyrolactone 79.68
    1-methoxy-2-propanol 55.26
    pyridine 30.89
    3-pentanone 11.76
    furfural 72.14
    n-dodecane 0.15
    diethylene glycol 71.9
    diisopropyl ether 1.6
    tert-amyl alcohol 8.46
    acetylacetone 29.12
    n-hexadecane 0.17
    acetophenone 16.55
    methyl propionate 15.6
    isopentyl acetate 22.44
    trichloroethylene 45.97
    n-nonanol 5.62
    cyclohexanol 12.02
    benzyl alcohol 18.69
    2-ethylhexanol 7.67
    isooctanol 9.69
    dipropyl ether 3.6
    1,2-dichlorobenzene 13.06
    ethyl lactate 15.55
    propylene carbonate 41.0
    n-methylformamide 49.16
    2-pentanol 7.32
    n-pentane 0.21
    1-propoxy-2-propanol 32.75
    1-methoxy-2-propyl acetate 33.24
    2-(2-methoxypropoxy) propanol 19.25
    mesitylene 2.67
    ε-caprolactone 41.41
    p-cymene 3.84
    epichlorohydrin 72.36
    1,1,1-trichloroethane 13.79
    2-aminoethanol 25.08
    morpholine-4-carbaldehyde 85.08
    sulfolane 103.1
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 22.38
    n-hexyl acetate 14.99
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 24.64
    sec-butyl acetate 7.85
    tert-butyl acetate 14.42
    decalin 0.34
    glycerin 47.43
    diglyme 42.85
    acrylic acid 28.99
    isopropyl myristate 5.24
    n-butyric acid 35.86
    acetyl acetate 14.49
    di(2-ethylhexyl) phthalate 11.92
    ethyl propionate 9.03
    nitromethane 57.49
    1,2-diethoxyethane 9.82
    benzonitrile 20.28
    trioctyl phosphate 9.98
    1-bromopropane 5.77
    gamma-valerolactone 111.27
    n-decanol 3.81
    triethyl phosphate 9.52
    4-methyl-2-pentanol 6.7
    propionitrile 11.02
    vinylene carbonate 43.6
    1,1,2-trichlorotrifluoroethane 77.88
    DMS 19.6
    cumene 2.67
    2-octanol 5.82
    2-hexanone 12.1
    octyl acetate 7.81
    limonene 3.94
    1,2-dimethoxyethane 34.59
    ethyl orthosilicate 8.41
    tributyl phosphate 9.15
    diacetone alcohol 30.7
    N,N-dimethylaniline 6.49
    acrylonitrile 21.56
    aniline 12.8
    1,3-propanediol 49.72
    bromobenzene 8.09
    dibromomethane 12.6
    1,1,2,2-tetrachloroethane 34.74
    2-methyl-cyclohexyl acetate 14.91
    tetrabutyl urea 12.98
    diisobutyl methanol 4.16
    2-phenylethanol 27.56
    styrene 2.79
    dioctyl adipate 9.22
    dimethyl sulfate 39.0
    ethyl butyrate 10.62
    methyl lactate 30.6
    butyl lactate 22.2
    diethyl carbonate 8.63
    propanediol butyl ether 23.86
    triethyl orthoformate 9.78
    p-tert-butyltoluene 3.46
    methyl 4-tert-butylbenzoate 21.6
    morpholine 36.93
    tert-butylamine 4.36
    n-dodecanol 2.55
    dimethoxymethane 44.19
    ethylene carbonate 34.74
    cyrene 39.98
    2-ethoxyethyl acetate 26.54
    2-ethylhexyl acetate 15.67
    1,2,4-trichlorobenzene 17.83
    4-methylpyridine 24.28
    dibutyl ether 2.51
    2,6-dimethyl-4-heptanol 4.16
    DEF 21.4
    dimethyl isosorbide 40.4
    tetrachloroethylene 26.05
    eugenol 26.85
    triacetin 17.66
    span 80 19.54
    1,4-butanediol 18.2
    1,1-dichloroethane 12.57
    2-methyl-1-pentanol 10.18
    methyl formate 43.82
    2-methyl-1-butanol 11.61
    n-decane 0.24
    butyronitrile 12.17
    3,7-dimethyl-1-octanol 5.58
    1-chlorooctane 1.74
    1-chlorotetradecane 0.74
    n-nonane 0.17
    undecane 0.18
    tert-butylcyclohexane 0.28
    cyclooctane 0.16
    cyclopentanol 20.66
    tetrahydropyran 16.24
    tert-amyl methyl ether 3.24
    2,5,8-trioxanonane 28.16
    1-hexene 0.92
    2-isopropoxyethanol 19.95
    2,2,2-trifluoroethanol 32.99
    methyl butyrate 13.48

    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