Salannin

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  • Identifiers

    CAS number
    992-20-1

    Molecular formula
    C34H44O9

    SMILES
    C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 36.29%
    Odorless 34.93%
    Floral 30.41%
    Fresh 30.36%
    Mint 28.94%
    Herbal 27.51%
    Sweet 26.58%
    Fruity 24.99%
    Spicy 23.22%
    Green 23.13%

     

    Flavor
    Bitter 87.25%
    Cedarleaf 21.68%
    Bland 21.23%
    Sweet-like 20.39%
    Parsley 20.18%
    Heather 20.03%
    Broom 19.87%
    Ripe apricot 19.87%
    Genet 19.56%
    Red fruit 19.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    4.68 (weak acid)

    Molecular weight
    596.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    548°C

    Flash point

    • 220.58 ˚C est.

  • Synonyms

    • Salannin
    • 992-20-1
    • Azadriactin
    • DTXSID6058500
    • CHEBI:67309
    • [(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate
    • ((1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo(9.6.1.02,9.04,8.015,18)octadec-7-en-12-yl) (E)-2-methylbut-2-enoate
    • RefChem:180880
    • DTXCID10819928
    • Margosan-O
    • SALANNIN(P)
    • Azadriactin; Margosan-O
    • (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-(acetyloxy)-8-(furan-3-yl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl (2E)-2-methylbut-2-enoate
    • Margosan-O; Azadriactin
    • Caswell No. 594A
    • salanin
    • Azadirachtin, Neem
    • C34H44O9
    • Salannin (>90%)
    • orb1695330
    • CHEMBL3823041
    • SCHEMBL19588463
    • BDBM92411
    • CJHBVBNPNXOWBA-REXVOHEDSA-N
    • AKOS040753900
    • AT40293
    • DA-67381
    • FS138000
    • MS-30583
    • HY-123026
    • CS-0079900
    • Q27104942
    • 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2a,5a,6a,7-tetramethyl-5-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-
    • 2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2a,5a,6a,7-tetramethyl-5-((2-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (2aalpha,3beta,5beta(E), 5aalpha,6alpha,6aalpha,8beta,9abeta,10aalpha,10balpha,10cbeta)-(+)-
    • 992-20-1

  • Applications

    Salannin (CAS 992-20-1) is a limonoid isolated from neem (Azadirachta indica) and related Meliaceae; its practical applications are mainly in research and plant-protection contexts. It is commonly considered a component of neem-based formulations with insect antifeedant activity and is used as a reference compound or a minor active constituent in botanical pest-control products derived from plant sources. Salannin also serves in natural-product chemistry and structural-biology studies as a probe compound for limonoid biosynthesis and for exploratory biological activity research (for example, antimicrobial activity in vitro). Additionally, it is used in quality control and analytical characterization of neem extracts as a chemical marker.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.39
    methanol 46.68
    isopropanol 15.14
    water 0.08
    ethyl acetate 48.26
    n-propanol 34.52
    acetone 88.52
    n-butanol 23.21
    acetonitrile 56.5
    DMF 246.25
    toluene 18.32
    isobutanol 18.43
    1,4-dioxane 72.75
    methyl acetate 65.59
    THF 134.1
    2-butanone 75.72
    n-pentanol 20.07
    sec-butanol 13.43
    n-hexane 0.22
    ethylene glycol 10.71
    NMP 351.85
    cyclohexane 0.39
    DMSO 128.79
    n-butyl acetate 16.99
    n-octanol 4.4
    chloroform 283.89
    n-propyl acetate 26.16
    acetic acid 230.5
    dichloromethane 211.47
    cyclohexanone 114.82
    propylene glycol 15.45
    isopropyl acetate 22.43
    DMAc 270.42
    2-ethoxyethanol 69.04
    isopentanol 13.54
    n-heptane 0.16
    ethyl formate 49.02
    1,2-dichloroethane 77.97
    n-hexanol 10.2
    2-methoxyethanol 103.55
    isobutyl acetate 15.75
    tetrachloromethane 17.3
    n-pentyl acetate 17.37
    transcutol 49.22
    n-heptanol 7.39
    ethylbenzene 5.35
    MIBK 20.33
    2-propoxyethanol 69.96
    tert-butanol 8.88
    MTBE 8.05
    2-butoxyethanol 39.13
    propionic acid 72.76
    o-xylene 7.45
    formic acid 87.46
    diethyl ether 14.12
    m-xylene 8.06
    p-xylene 7.49
    chlorobenzene 44.66
    dimethyl carbonate 70.38
    n-octane 0.07
    formamide 104.0
    cyclopentanone 190.96
    2-pentanone 50.7
    anisole 23.17
    cyclopentyl methyl ether 29.69
    gamma-butyrolactone 256.92
    1-methoxy-2-propanol 70.59
    pyridine 129.14
    3-pentanone 39.28
    furfural 207.31
    n-dodecane 0.09
    diethylene glycol 50.68
    diisopropyl ether 2.08
    tert-amyl alcohol 9.18
    acetylacetone 73.5
    n-hexadecane 0.11
    acetophenone 39.7
    methyl propionate 71.46
    isopentyl acetate 14.15
    trichloroethylene 288.52
    n-nonanol 5.16
    cyclohexanol 13.56
    benzyl alcohol 39.4
    2-ethylhexanol 4.68
    isooctanol 5.46
    dipropyl ether 5.82
    1,2-dichlorobenzene 40.04
    ethyl lactate 25.9
    propylene carbonate 99.3
    n-methylformamide 149.07
    2-pentanol 7.93
    n-pentane 0.24
    1-propoxy-2-propanol 31.04
    1-methoxy-2-propyl acetate 33.98
    2-(2-methoxypropoxy) propanol 26.11
    mesitylene 3.01
    ε-caprolactone 106.76
    p-cymene 2.31
    epichlorohydrin 236.02
    1,1,1-trichloroethane 63.86
    2-aminoethanol 28.79
    morpholine-4-carbaldehyde 254.71
    sulfolane 245.29
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 48.92
    n-hexyl acetate 16.78
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 30.56
    sec-butyl acetate 13.51
    tert-butyl acetate 16.41
    decalin 0.31
    glycerin 37.7
    diglyme 62.96
    acrylic acid 102.0
    isopropyl myristate 4.37
    n-butyric acid 83.18
    acetyl acetate 51.67
    di(2-ethylhexyl) phthalate 12.49
    ethyl propionate 23.24
    nitromethane 336.82
    1,2-diethoxyethane 12.02
    benzonitrile 43.11
    trioctyl phosphate 6.6
    1-bromopropane 22.51
    gamma-valerolactone 343.48
    n-decanol 2.9
    triethyl phosphate 8.65
    4-methyl-2-pentanol 4.4
    propionitrile 42.29
    vinylene carbonate 134.71
    1,1,2-trichlorotrifluoroethane 209.93
    DMS 25.89
    cumene 3.1
    2-octanol 3.06
    2-hexanone 29.62
    octyl acetate 7.96
    limonene 2.76
    1,2-dimethoxyethane 65.47
    ethyl orthosilicate 7.18
    tributyl phosphate 6.54
    diacetone alcohol 32.4
    N,N-dimethylaniline 14.13
    acrylonitrile 87.26
    aniline 37.44
    1,3-propanediol 41.81
    bromobenzene 43.56
    dibromomethane 95.76
    1,1,2,2-tetrachloroethane 162.81
    2-methyl-cyclohexyl acetate 14.79
    tetrabutyl urea 10.76
    diisobutyl methanol 1.87
    2-phenylethanol 26.96
    styrene 8.35
    dioctyl adipate 12.43
    dimethyl sulfate 117.16
    ethyl butyrate 13.36
    methyl lactate 58.03
    butyl lactate 20.32
    diethyl carbonate 10.51
    propanediol butyl ether 26.49
    triethyl orthoformate 9.88
    p-tert-butyltoluene 2.02
    methyl 4-tert-butylbenzoate 25.54
    morpholine 97.82
    tert-butylamine 2.7
    n-dodecanol 1.65
    dimethoxymethane 108.43
    ethylene carbonate 91.55
    cyrene 70.29
    2-ethoxyethyl acetate 35.62
    2-ethylhexyl acetate 11.15
    1,2,4-trichlorobenzene 65.06
    4-methylpyridine 91.53
    dibutyl ether 2.75
    2,6-dimethyl-4-heptanol 1.87
    DEF 69.44
    dimethyl isosorbide 46.7
    tetrachloroethylene 94.56
    eugenol 31.9
    triacetin 32.34
    span 80 23.23
    1,4-butanediol 21.4
    1,1-dichloroethane 72.51
    2-methyl-1-pentanol 13.26
    methyl formate 108.1
    2-methyl-1-butanol 15.65
    n-decane 0.19
    butyronitrile 28.96
    3,7-dimethyl-1-octanol 3.68
    1-chlorooctane 1.86
    1-chlorotetradecane 0.53
    n-nonane 0.13
    undecane 0.12
    tert-butylcyclohexane 0.23
    cyclooctane 0.13
    cyclopentanol 26.75
    tetrahydropyran 36.98
    tert-amyl methyl ether 7.68
    2,5,8-trioxanonane 39.14
    1-hexene 2.0
    2-isopropoxyethanol 36.29
    2,2,2-trifluoroethanol 85.91
    methyl butyrate 33.23

    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