Cocarboxylase (INN:DCF:JAN)

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  • Identifiers

    CAS number
    154-87-0

    Molecular formula
    C12H19ClN4O7P2S

    SMILES
    CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 68.64%
    Meaty 25.13%
    Savory 23.23%
    Roasted 23.21%
    Cooked 21.96%
    Nutty 17.21%
    Milky 17.09%
    Fatty 16.17%
    Grape 15.95%
    Sulfurous 15.9%

     

    Flavor
    Odorless 58.03%
    Bitter 45.56%
    Mild 38.39%
    Bland 32.17%
    Very mild 22.66%
    Sour 22.25%
    Yeast 21.76%
    Sweet-like 20.92%
    Scallion 19.68%
    Bread crust 19.56%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.15 (neutral)

    Molecular weight
    460.77 g/mol

    Flash point

    • 338.06 ˚C est.

  • Synonyms

    • Vitamin B1 pyrophosphate chloride
    • Cocarboxylase [INN:DCF:JAN]
    • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride
    • Cocarboxylase (INN:DCF:JAN)
    • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride
    • RefChem:1082096
    • cocarboxylase
    • 154-87-0
    • Thiamine pyrophosphate chloride
    • Cocarboxilasa
    • Cocarboxylasum
    • Berolase
    • thiamine diphosphate
    • Cocarboxylase chloride
    • Aneurinepyrophosphoric acid
    • XMK8K8EVIU
    • 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy(phosphonooxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride
    • DTXSID6046262
    • 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride
    • Farmaneurina
    • Pyruvodehydrase
    • Biosyth
    • Bioxylasi
    • Bivitasi
    • Cocarbina
    • Cocarboxil
    • Coenbione
    • Coxylase
    • Metabolase
    • Nutrase
    • Pyrolase
    • Diphosphothiamin
    • Diphosphothiamine
    • Thiamine-PP
    • B-Neurox
    • Thiaminediphosphate
    • Thiaminpyrophosphate
    • TPP (coenzyme)
    • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride
    • Thiaminepyrophosphate
    • Co-Bi
    • TDP (thiamin ester)
    • Magnesiocarbina
    • Cothiamine
    • Bioxilasi
    • Cocarvit
    • Coneurina
    • Stadion
    • Tiaxin
    • Co-carboxylase
    • B-Carbossilasi
    • Coenzyme-B
    • Cocarboxylasum [INN-Latin]
    • Thiamine pyrophosphoric ester
    • Cocarboxilasa [INN-Spanish]
    • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride (1:1)
    • thiamine pyrophosphate hydrochloride
    • Co-carboxylase [BAN]
    • UNII-XMK8K8EVIU
    • NCGC00160617-01
    • EINECS 205-836-1
    • thiamine diphosphate chloride
    • AI3-63012
    • Coenzymate (TN)
    • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride (1:1)
    • Thiamine, trihydrogen pyrophosphate (ester)
    • 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
    • Cocarboxylase (JAN/INN)
    • COCARBOXYLASE [JAN]
    • SCHEMBL21111
    • orb1302491
    • CHEMBL2104121
    • DTXCID4026262
    • Thiamine pyrophosphate, >=95%
    • CHEBI:18290
    • MSK1526
    • THIAMINE DIPHOSPHATE [MI]
    • Thiamine pyrophosphate (Standard)
    • thiamine(1+) diphosphate chloride
    • Tox21_111940
    • EBC-98064
    • AKOS015913954
    • FT29444
    • HY-113076R
    • Aneurinepyrophosphoric acid, Cocarboxylase
    • AS-56027
    • CAS-154-87-0
    • THIAMINE DIPHOSPHATE ESTER CHLORIDE
    • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide
    • COCARBOXYLASE HYDROCHLORIDE [WHO-DD]
    • HY-113076
    • CS-0059498
    • NS00041523
    • T0183
    • Vitamin B1 Pyrophosphoric Acid Ester Chloride
    • D01225
    • H11938
    • SBI-0634057.0002
    • THIAMINE DIPHOSPHORIC ACID ESTER CHLORIDE
    • THIAMINE PYROPHOSPHORIC ACID ESTER CHLORIDE
    • J-009154
    • Q60998678
    • Thiamine pyrophosphate, Pharmaceutical Secondary Standard; Certified Reference Material
    • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride
    • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium chloride
    • 902463-63-2
    • 154-87-0

  • Applications

    Cocarboxylase (INN:DCF:JAN), CAS 154-87-0, has practical applications across industrial and consumer sectors. It is used as an organic synthesis intermediate, participating in production routes where a versatile precursor is required. It may serve as a solvent or processing aid in manufacturing workflows. In coatings, inks, and polymers, it functions as a stabilizer and processing additive. In fragrance and cosmetic formulations, it can act as a fixative or odorant to help stabilize and release scents. It may also be incorporated into household cleaning products as an additive or performance enhancer. Applications vary with regional regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.13
    methanol 0.42
    isopropanol 0.07
    water 0.79
    ethyl acetate 0.09
    n-propanol 0.11
    acetone 0.18
    n-butanol 0.12
    acetonitrile 0.09
    DMF 2.31
    toluene 0.03
    isobutanol 0.07
    1,4-dioxane 0.09
    methyl acetate 0.09
    THF 0.89
    2-butanone 0.18
    n-pentanol 0.06
    sec-butanol 0.08
    n-hexane 0.0
    ethylene glycol 0.64
    NMP 10.68
    cyclohexane 0.01
    DMSO 6.96
    n-butyl acetate 0.16
    n-octanol 0.03
    chloroform 0.14
    n-propyl acetate 0.08
    acetic acid 0.88
    dichloromethane 0.14
    cyclohexanone 0.4
    propylene glycol 0.72
    isopropyl acetate 0.08
    DMAc 3.99
    2-ethoxyethanol 0.67
    isopentanol 0.1
    n-heptane 0.01
    ethyl formate 0.26
    1,2-dichloroethane 0.08
    n-hexanol 0.08
    2-methoxyethanol 2.59
    isobutyl acetate 0.04
    tetrachloromethane 0.05
    n-pentyl acetate 0.09
    transcutol 0.6
    n-heptanol 0.08
    ethylbenzene 0.01
    MIBK 0.14
    2-propoxyethanol 1.25
    tert-butanol 0.09
    MTBE 0.02
    2-butoxyethanol 0.63
    propionic acid 0.33
    o-xylene 0.03
    formic acid 5.0
    diethyl ether 0.03
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.03
    dimethyl carbonate 0.33
    n-octane 0.0
    formamide 5.06
    cyclopentanone 1.49
    2-pentanone 0.2
    anisole 0.04
    cyclopentyl methyl ether 0.19
    gamma-butyrolactone 1.96
    1-methoxy-2-propanol 1.61
    pyridine 0.2
    3-pentanone 0.14
    furfural 3.01
    n-dodecane 0.0
    diethylene glycol 2.49
    diisopropyl ether 0.01
    tert-amyl alcohol 0.1
    acetylacetone 0.43
    n-hexadecane 0.0
    acetophenone 0.14
    methyl propionate 0.19
    isopentyl acetate 0.14
    trichloroethylene 0.22
    n-nonanol 0.04
    cyclohexanol 0.09
    benzyl alcohol 0.1
    2-ethylhexanol 0.06
    isooctanol 0.06
    dipropyl ether 0.08
    1,2-dichlorobenzene 0.04
    ethyl lactate 0.39
    propylene carbonate 0.85
    n-methylformamide 1.33
    2-pentanol 0.06
    n-pentane 0.0
    1-propoxy-2-propanol 0.77
    1-methoxy-2-propyl acetate 0.44
    2-(2-methoxypropoxy) propanol 0.54
    mesitylene 0.02
    ε-caprolactone 0.49
    p-cymene 0.03
    epichlorohydrin 0.76
    1,1,1-trichloroethane 0.07
    2-aminoethanol 0.65
    morpholine-4-carbaldehyde 2.59
    sulfolane 8.92
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.21
    n-hexyl acetate 0.07
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.53
    sec-butyl acetate 0.05
    tert-butyl acetate 0.13
    decalin 0.0
    glycerin 6.0
    diglyme 1.05
    acrylic acid 0.67
    isopropyl myristate 0.03
    n-butyric acid 0.46
    acetyl acetate 0.12
    di(2-ethylhexyl) phthalate 0.11
    ethyl propionate 0.1
    nitromethane 1.62
    1,2-diethoxyethane 0.06
    benzonitrile 0.08
    trioctyl phosphate 0.07
    1-bromopropane 0.03
    gamma-valerolactone 2.57
    n-decanol 0.03
    triethyl phosphate 0.2
    4-methyl-2-pentanol 0.05
    propionitrile 0.08
    vinylene carbonate 0.59
    1,1,2-trichlorotrifluoroethane 3.89
    DMS 0.11
    cumene 0.01
    2-octanol 0.04
    2-hexanone 0.11
    octyl acetate 0.04
    limonene 0.04
    1,2-dimethoxyethane 0.56
    ethyl orthosilicate 0.16
    tributyl phosphate 0.09
    diacetone alcohol 0.69
    N,N-dimethylaniline 0.06
    acrylonitrile 0.19
    aniline 0.1
    1,3-propanediol 0.87
    bromobenzene 0.02
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.22
    2-methyl-cyclohexyl acetate 0.15
    tetrabutyl urea 0.19
    diisobutyl methanol 0.04
    2-phenylethanol 0.14
    styrene 0.01
    dioctyl adipate 0.05
    dimethyl sulfate 1.86
    ethyl butyrate 0.17
    methyl lactate 1.42
    butyl lactate 0.36
    diethyl carbonate 0.11
    propanediol butyl ether 0.52
    triethyl orthoformate 0.18
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.37
    morpholine 0.21
    tert-butylamine 0.03
    n-dodecanol 0.02
    dimethoxymethane 0.8
    ethylene carbonate 0.34
    cyrene 2.16
    2-ethoxyethyl acetate 0.14
    2-ethylhexyl acetate 0.11
    1,2,4-trichlorobenzene 0.07
    4-methylpyridine 0.14
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.04
    DEF 0.4
    dimethyl isosorbide 1.8
    tetrachloroethylene 0.17
    eugenol 0.5
    triacetin 0.16
    span 80 0.32
    1,4-butanediol 0.21
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.05
    methyl formate 1.03
    2-methyl-1-butanol 0.1
    n-decane 0.0
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.24
    tetrahydropyran 0.06
    tert-amyl methyl ether 0.05
    2,5,8-trioxanonane 0.84
    1-hexene 0.01
    2-isopropoxyethanol 0.23
    2,2,2-trifluoroethanol 1.34
    methyl butyrate 0.17

    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