Introduction：Basic information about CAS 3615-82-5|Phytin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Phytin |
|---|
| CAS Number | 3615-82-5 | Molecular Weight | 888.408 |
|---|
| Density | 2.42g/cm3 | Boiling Point | 1190.7ºC at 760mmHg |
|---|
| Molecular Formula | C6H6Ca6O24P6 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 673.9ºC |
|---|
Names
| Name | calcium,magnesium,(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate |
|---|
| Synonym | More Synonyms |
|---|
Phytin BiologicalActivity
| Description | Calcium Phytate is found in food and is significant for human nutrition[1]. |
|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
|---|
| Target | Human Endogenous Metabolite |
|---|
| References | [1]. Schlemmer U, Frølich W, Prieto RM, Grases F. Phytate in foods and significance for humans: food sources, intake, processing, bioavailability, protective role and analysis. Mol Nutr Food Res. 2009;53 Suppl 2:S330-S375. |
|---|
Chemical & Physical Properties
| Density | 2.42g/cm3 |
|---|
| Boiling Point | 1190.7ºC at 760mmHg |
|---|
| Molecular Formula | C6H6Ca6O24P6 |
|---|
| Molecular Weight | 888.408 |
|---|
| Flash Point | 673.9ºC |
|---|
| Exact Mass | 887.543030 |
|---|
| PSA | 493.38000 |
|---|
| LogP | 2.12580 |
|---|
| InChIKey | JWJNVODPOMYTLT-UHFFFAOYSA-J |
|---|
| SMILES | O=P([O-])(O)OC1C(OP(=O)([O-])O)C(OP(=O)([O-])O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)([O-])O.[Ca+2].[Mg+2] |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NM7530000
- CHEMICAL NAME :
- Inositol, hexakis(dihydrogen phosphate), calcium magnesium salt, myo-
- CAS REGISTRY NUMBER :
- 3615-82-5
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H18-O24-P6.xCa.xMg
- MOLECULAR WEIGHT :
- 1110.79
- WISWESSER LINE NOTATION :
- L6TJ AOPQQO BOPQQO COPQQO DOPQQO EOPQQO FOPQQO &-MG- &-CA-
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1880 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,139,1981
|
Safety Information
| Hazard Codes | Xi |
|---|
| RTECS | NM7530000 |
|---|
| HS Code | 2919900090 |
|---|
Customs
| HS Code | 2919900090 |
|---|
| Summary | 2919900090 other phosphoric esters and their salts, including lactophosphates; their halogenated, sulphonated, nitrated or nitrosated derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0% |
|---|
Synonyms
| Phytophosphine |
| Hexacalcium (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-cyclohexanehexayl hexakis(phosphate) |
| 1,2,3,4,5,6-Cyclohexanehexol, hexakis(dihydrogen phosphate), calcium salt, (1α,2α,3α,4β,5α,6β)- (1:6) |
| Phytocalcium |
| Forglesan |
| Calcium Phytate |
| Phytin |
| Inositocalcium |
| Fosforo de Angeli |
| Calcium-magnesium phytate |
| Eviunis |
| Inositol hexaphosphate calcium salt |
| Phosbiose |
| Inophosphan |
| EINECS 222-798-1 |
