Trillin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14144-06-0

    Molecular formula
    C33H52O8

    SMILES
    C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Woody 47.43%
    Spicy 34.26%
    Odorless 30.39%
    Amber 28.85%
    Sweet 27.39%
    Balsamic 26.55%
    Herbal 25.63%
    Sandalwood 24.94%
    Mint 24.8%
    Dry 23.5%

     

    Flavor
    Bitter 40.2%
    Fatty 38.46%
    Sweet 27.5%
    Earthy 24.95%
    Sweet-like 23.87%
    Metallic 23.75%
    Cedarleaf 22.4%
    Beet 22.12%
    Alkaline 22.12%
    Cauliflower 21.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    4.93 (weak acid)

    Molecular weight
    576.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    139°C

    Flash point

    • 232.83 ˚C est.

  • Synonyms

    • Trillin
    • Disogluside
    • 14144-06-0
    • Disoglusido
    • Disoglusidum
    • 8KI671F2NS
    • diosgenin 3-O-beta-D-glucopyranoside
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-16-yl)oxyoxane-3,4,5-triol
    • RefChem:1100445
    • 25R-Spirost-5-en-3beta-yl-beta-D-glucopyranoside
    • Diosgenin glucoside
    • Disogluside [INN]
    • Collettinside I
    • Melongoside B
    • Funkioside A
    • b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-yl
    • diosgenin 3-beta-D-glucoside
    • (25R)-3beta-(beta-D-Glucopyranosyloxy)spirost-5-ene
    • Collettiside I
    • diosgenin 3-O-beta-D-glucoside
    • CHEBI:74020
    • (25R)-spirost-5-en-3beta-ol 3-O-beta-D-glucopyranoside
    • 3-O-(Glcbeta)-(25R)-spirost-5en-3beta-ol
    • Diosgeninglucoside
    • (25R)-spirost-5-en-3beta-yl beta-D-glucopyranoside
    • (3beta,25R)-spirost-5-en-3-yl beta-D-glucopyranoside
    • C33H52O8
    • Disoglusidum [INN-Latin]
    • Disoglusido [INN-Spanish]
    • UNII-8KI671F2NS
    • Diosgenin-glucoside
    • MFCD00867497
    • 3-O-beta-D-Glc-diosgenin
    • CHEMBL395414
    • orb1303626
    • SCHEMBL2734312
    • DTXSID801350139
    • HY-N0730
    • BDBM50021400
    • s9068
    • AKOS015960440
    • CCG-270115
    • EBC-519243
    • MP42776
    • (25R)-spirost-5-ene-3-O-beta-D-glc
    • AC-11225
    • AC-34930
    • BP-42515
    • MS-30378
    • CS-0009743
    • C20709
    • 144T060
    • (3|A,25R)-Spirost-5-en-3-yl |A-D-glucopyranoside
    • Q27144338
    • (3beta,25R)-Spirost-5-en-3-ol 3-O-beta-D-glucopyranoside
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-eneoxy]oxane-3,4,5-triol
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-yl]oxy-tetrahydropyran-3,4,5-triol
    • 14144-06-0

  • Applications

    Trillin (CAS 14144-06-0) may be used as an intermediate in chemical synthesis; in industrial manufacturing it can function as a solvent or co-solvent; in the polymer and plastics sector it may serve as a plasticizer or stabilizer in certain formulations; in perfumery/fragrance it can be used as an odorant or fragrance ingredient and as a fixing agent; in coatings and inks it can act as a solvent component or viscosity-modifying additive; in cleaning formulations and household products it may be used as a solvent or performance-enhancing additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.16
    methanol 7.71
    isopropanol 0.54
    water 0.07
    ethyl acetate 2.17
    n-propanol 1.67
    acetone 4.25
    n-butanol 1.27
    acetonitrile 1.49
    DMF 10.59
    toluene 1.43
    isobutanol 0.76
    1,4-dioxane 8.28
    methyl acetate 1.95
    THF 18.91
    2-butanone 2.8
    n-pentanol 1.28
    sec-butanol 0.37
    n-hexane 0.04
    ethylene glycol 1.18
    NMP 17.9
    cyclohexane 0.07
    DMSO 17.63
    n-butyl acetate 1.55
    n-octanol 1.53
    chloroform 6.99
    n-propyl acetate 1.56
    acetic acid 13.49
    dichloromethane 6.09
    cyclohexanone 7.44
    propylene glycol 0.92
    isopropyl acetate 1.8
    DMAc 15.9
    2-ethoxyethanol 8.65
    isopentanol 0.89
    n-heptane 0.07
    ethyl formate 2.81
    1,2-dichloroethane 2.77
    n-hexanol 1.26
    2-methoxyethanol 13.28
    isobutyl acetate 1.28
    tetrachloromethane 0.99
    n-pentyl acetate 4.04
    transcutol 20.9
    n-heptanol 2.29
    ethylbenzene 0.61
    MIBK 2.21
    2-propoxyethanol 11.54
    tert-butanol 0.44
    MTBE 0.58
    2-butoxyethanol 12.57
    propionic acid 2.56
    o-xylene 0.84
    formic acid 9.61
    diethyl ether 1.03
    m-xylene 1.1
    p-xylene 0.65
    chlorobenzene 2.09
    dimethyl carbonate 3.84
    n-octane 0.04
    formamide 9.58
    cyclopentanone 12.15
    2-pentanone 2.91
    anisole 2.71
    cyclopentyl methyl ether 3.72
    gamma-butyrolactone 13.14
    1-methoxy-2-propanol 6.59
    pyridine 7.82
    3-pentanone 2.16
    furfural 16.63
    n-dodecane 0.04
    diethylene glycol 8.12
    diisopropyl ether 0.33
    tert-amyl alcohol 0.39
    acetylacetone 7.12
    n-hexadecane 0.04
    acetophenone 4.06
    methyl propionate 2.83
    isopentyl acetate 1.84
    trichloroethylene 8.69
    n-nonanol 1.94
    cyclohexanol 0.88
    benzyl alcohol 3.46
    2-ethylhexanol 0.76
    isooctanol 1.7
    dipropyl ether 1.12
    1,2-dichlorobenzene 2.18
    ethyl lactate 2.2
    propylene carbonate 5.13
    n-methylformamide 7.36
    2-pentanol 0.43
    n-pentane 0.04
    1-propoxy-2-propanol 5.07
    1-methoxy-2-propyl acetate 5.03
    2-(2-methoxypropoxy) propanol 7.17
    mesitylene 0.59
    ε-caprolactone 7.38
    p-cymene 0.57
    epichlorohydrin 14.7
    1,1,1-trichloroethane 1.62
    2-aminoethanol 2.75
    morpholine-4-carbaldehyde 24.27
    sulfolane 22.22
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 3.26
    n-hexyl acetate 4.18
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 11.91
    sec-butyl acetate 1.03
    tert-butyl acetate 2.23
    decalin 0.07
    glycerin 4.09
    diglyme 21.25
    acrylic acid 4.89
    isopropyl myristate 1.14
    n-butyric acid 4.51
    acetyl acetate 3.48
    di(2-ethylhexyl) phthalate 2.56
    ethyl propionate 1.42
    nitromethane 17.0
    1,2-diethoxyethane 3.11
    benzonitrile 2.65
    trioctyl phosphate 1.65
    1-bromopropane 0.74
    gamma-valerolactone 34.86
    n-decanol 1.02
    triethyl phosphate 1.29
    4-methyl-2-pentanol 0.48
    propionitrile 1.14
    vinylene carbonate 7.66
    1,1,2-trichlorotrifluoroethane 18.7
    DMS 3.06
    cumene 0.46
    2-octanol 0.83
    2-hexanone 1.93
    octyl acetate 1.91
    limonene 0.62
    1,2-dimethoxyethane 9.86
    ethyl orthosilicate 1.29
    tributyl phosphate 1.24
    diacetone alcohol 4.1
    N,N-dimethylaniline 1.98
    acrylonitrile 2.58
    aniline 2.36
    1,3-propanediol 4.12
    bromobenzene 1.89
    dibromomethane 2.69
    1,1,2,2-tetrachloroethane 5.06
    2-methyl-cyclohexyl acetate 2.25
    tetrabutyl urea 2.06
    diisobutyl methanol 0.44
    2-phenylethanol 3.86
    styrene 0.73
    dioctyl adipate 2.6
    dimethyl sulfate 7.39
    ethyl butyrate 1.52
    methyl lactate 4.46
    butyl lactate 4.53
    diethyl carbonate 1.0
    propanediol butyl ether 8.2
    triethyl orthoformate 1.83
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 6.64
    morpholine 9.09
    tert-butylamine 0.18
    n-dodecanol 0.54
    dimethoxymethane 11.47
    ethylene carbonate 5.28
    cyrene 11.08
    2-ethoxyethyl acetate 8.38
    2-ethylhexyl acetate 1.35
    1,2,4-trichlorobenzene 3.17
    4-methylpyridine 4.42
    dibutyl ether 0.82
    2,6-dimethyl-4-heptanol 0.44
    DEF 4.21
    dimethyl isosorbide 12.15
    tetrachloroethylene 4.99
    eugenol 7.34
    triacetin 6.58
    span 80 6.83
    1,4-butanediol 1.7
    1,1-dichloroethane 1.31
    2-methyl-1-pentanol 0.93
    methyl formate 6.12
    2-methyl-1-butanol 0.77
    n-decane 0.08
    butyronitrile 1.05
    3,7-dimethyl-1-octanol 1.06
    1-chlorooctane 0.48
    1-chlorotetradecane 0.14
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.05
    cyclooctane 0.05
    cyclopentanol 1.3
    tetrahydropyran 3.02
    tert-amyl methyl ether 0.58
    2,5,8-trioxanonane 13.0
    1-hexene 0.16
    2-isopropoxyethanol 4.52
    2,2,2-trifluoroethanol 5.47
    methyl butyrate 1.92

    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