Sarracenin

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  • Identifiers

    CAS number
    59653-37-1

    Molecular formula
    C11H14O5

    SMILES
    CC1C2C3CC(O1)OC2OC=C3C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 49.97%
    Herbal 35.58%
    Green 29.44%
    Spicy 28.51%
    Odorless 28.34%
    Woody 28.31%
    Nutty 26.3%
    Mint 25.49%
    Floral 25.36%
    Aromatic 22.05%

     

    Flavor
    Bitter 80.11%
    Fatty 22.5%
    Sweet-like 21.44%
    Cedarleaf 21.35%
    Bland 19.84%
    Ripe apricot 19.69%
    Parsley 19.61%
    Cereal 19.52%
    Lovage 19.37%
    Naphthalic 19.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    6.89 (neutral)

    Molecular weight
    226.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    370°C

    Flash point

    • 141.22 ˚C est.

  • Synonyms

    • SARRACENIN
    • 59653-37-1
    • DTXSID60330214
    • Methyl (1R,3R,7R,8S,9S)-9-methyl-2,4,10-trioxatricyclo(5.3.1.0,)undec-5-ene-6-carboxylic acid
    • Methyl (1R,3R,7R,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.0,]undec-5-ene-6-carboxylic acid
    • RefChem:181464
    • DTXCID70281309
    • methyl 9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate
    • CHEMBL1982244
    • SCHEMBL29811214
    • CHEBI:228906
    • JCA65337
    • NSC224069
    • NSC-224069
    • DA-69666
    • E80753
    • Methyl 8-methyl-5,6,8,8a-tetrahydro-1H,4aH-1,6-epoxypyrano[3,4-c]pyran-4-carboxylate
    • 2,5-Methano-4H,5H-pyrano[2,3-d]-1,3- dioxin-6-carboxylic acid,4a,8a-dihydro-4-methyl-,methyl ester,(2R,4S,4aS,5S,8aR)-
    • 2,5H-pyrano[2,3-d]-1,3-dioxin-6-carboxylic acid, 4a,8a-dihydro-4-methyl-, methyl ester, (2.alpha.,4.beta.,4a.beta.,5.alpha.,8a.beta.)-(-)-
    • 59653-37-1

  • Applications

    Sarracenin (CAS 59653-37-1) is a versatile aromatic compound with several potential applications: it may be used as a fragrance ingredient in perfumery and as a flavor precursor in flavor formulations; in cosmetics/personal care it can function as a fragrance additive; it can serve as an organic-synthesis intermediate in industrial manufacturing, enabling downstream chemical transformations; and it may be employed as a functional additive in coatings or inks, where it can act as a processing aid or aroma contributor, with actual use governed by formulation needs and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.21
    methanol 24.32
    isopropanol 7.21
    water 2.62
    ethyl acetate 32.92
    n-propanol 6.67
    acetone 42.21
    n-butanol 7.2
    acetonitrile 36.38
    DMF 121.01
    toluene 10.8
    isobutanol 6.62
    1,4-dioxane 45.92
    methyl acetate 33.11
    THF 49.88
    2-butanone 27.23
    n-pentanol 5.79
    sec-butanol 5.84
    n-hexane 0.15
    ethylene glycol 16.61
    NMP 147.85
    cyclohexane 0.52
    DMSO 152.23
    n-butyl acetate 15.49
    n-octanol 4.13
    chloroform 81.4
    n-propyl acetate 16.74
    acetic acid 107.27
    dichloromethane 106.57
    cyclohexanone 58.57
    propylene glycol 8.64
    isopropyl acetate 17.95
    DMAc 119.32
    2-ethoxyethanol 31.28
    isopentanol 9.86
    n-heptane 0.24
    ethyl formate 32.71
    1,2-dichloroethane 51.03
    n-hexanol 6.62
    2-methoxyethanol 62.35
    isobutyl acetate 10.54
    tetrachloromethane 6.83
    n-pentyl acetate 10.59
    transcutol 97.08
    n-heptanol 4.95
    ethylbenzene 4.7
    MIBK 16.6
    2-propoxyethanol 35.25
    tert-butanol 11.03
    MTBE 4.25
    2-butoxyethanol 20.64
    propionic acid 31.02
    o-xylene 9.87
    formic acid 116.95
    diethyl ether 5.77
    m-xylene 10.59
    p-xylene 7.28
    chlorobenzene 25.32
    dimethyl carbonate 34.3
    n-octane 0.13
    formamide 145.82
    cyclopentanone 74.04
    2-pentanone 23.39
    anisole 16.21
    cyclopentyl methyl ether 16.31
    gamma-butyrolactone 119.43
    1-methoxy-2-propanol 39.96
    pyridine 56.13
    3-pentanone 18.72
    furfural 148.87
    n-dodecane 0.2
    diethylene glycol 57.66
    diisopropyl ether 2.38
    tert-amyl alcohol 8.32
    acetylacetone 56.13
    n-hexadecane 0.25
    acetophenone 30.17
    methyl propionate 33.34
    isopentyl acetate 15.14
    trichloroethylene 142.26
    n-nonanol 4.43
    cyclohexanol 12.05
    benzyl alcohol 25.93
    2-ethylhexanol 5.58
    isooctanol 4.92
    dipropyl ether 4.07
    1,2-dichlorobenzene 28.56
    ethyl lactate 21.28
    propylene carbonate 63.3
    n-methylformamide 73.91
    2-pentanol 4.73
    n-pentane 0.19
    1-propoxy-2-propanol 21.26
    1-methoxy-2-propyl acetate 29.22
    2-(2-methoxypropoxy) propanol 30.76
    mesitylene 5.97
    ε-caprolactone 57.15
    p-cymene 4.82
    epichlorohydrin 105.93
    1,1,1-trichloroethane 25.65
    2-aminoethanol 14.52
    morpholine-4-carbaldehyde 123.9
    sulfolane 131.33
    2,2,4-trimethylpentane 0.28
    2-methyltetrahydrofuran 24.94
    n-hexyl acetate 13.02
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 33.35
    sec-butyl acetate 10.95
    tert-butyl acetate 17.67
    decalin 0.56
    glycerin 38.58
    diglyme 66.02
    acrylic acid 52.87
    isopropyl myristate 6.22
    n-butyric acid 33.92
    acetyl acetate 40.17
    di(2-ethylhexyl) phthalate 13.41
    ethyl propionate 17.61
    nitromethane 188.61
    1,2-diethoxyethane 13.67
    benzonitrile 34.91
    trioctyl phosphate 8.13
    1-bromopropane 8.85
    gamma-valerolactone 122.75
    n-decanol 3.44
    triethyl phosphate 14.35
    4-methyl-2-pentanol 5.0
    propionitrile 19.57
    vinylene carbonate 75.98
    1,1,2-trichlorotrifluoroethane 105.75
    DMS 27.55
    cumene 4.01
    2-octanol 2.88
    2-hexanone 13.43
    octyl acetate 8.39
    limonene 5.42
    1,2-dimethoxyethane 44.0
    ethyl orthosilicate 11.31
    tributyl phosphate 10.52
    diacetone alcohol 31.27
    N,N-dimethylaniline 12.53
    acrylonitrile 44.54
    aniline 26.52
    1,3-propanediol 23.77
    bromobenzene 22.28
    dibromomethane 42.39
    1,1,2,2-tetrachloroethane 75.53
    2-methyl-cyclohexyl acetate 15.41
    tetrabutyl urea 14.69
    diisobutyl methanol 4.25
    2-phenylethanol 20.8
    styrene 5.69
    dioctyl adipate 13.39
    dimethyl sulfate 70.0
    ethyl butyrate 14.97
    methyl lactate 38.2
    butyl lactate 15.23
    diethyl carbonate 15.59
    propanediol butyl ether 20.83
    triethyl orthoformate 12.56
    p-tert-butyltoluene 4.38
    methyl 4-tert-butylbenzoate 27.22
    morpholine 42.82
    tert-butylamine 3.56
    n-dodecanol 2.67
    dimethoxymethane 53.55
    ethylene carbonate 55.3
    cyrene 47.61
    2-ethoxyethyl acetate 23.11
    2-ethylhexyl acetate 11.68
    1,2,4-trichlorobenzene 38.14
    4-methylpyridine 50.77
    dibutyl ether 3.33
    2,6-dimethyl-4-heptanol 4.25
    DEF 40.59
    dimethyl isosorbide 52.92
    tetrachloroethylene 50.73
    eugenol 28.29
    triacetin 28.63
    span 80 20.75
    1,4-butanediol 11.14
    1,1-dichloroethane 28.72
    2-methyl-1-pentanol 8.25
    methyl formate 76.24
    2-methyl-1-butanol 7.89
    n-decane 0.29
    butyronitrile 17.72
    3,7-dimethyl-1-octanol 5.74
    1-chlorooctane 1.93
    1-chlorotetradecane 1.01
    n-nonane 0.21
    undecane 0.24
    tert-butylcyclohexane 0.44
    cyclooctane 0.28
    cyclopentanol 14.84
    tetrahydropyran 15.42
    tert-amyl methyl ether 5.37
    2,5,8-trioxanonane 49.76
    1-hexene 0.78
    2-isopropoxyethanol 20.23
    2,2,2-trifluoroethanol 75.47
    methyl butyrate 23.08

    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