Basic information
- CAS
17211-15-3- Standard 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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
KETSPIPODMGOEJ-UHFFFAOYSA-B- Molecular formula
- C6H6Na12O24P6
- Average molar mass
- 923.82 g/mol
- Monoisotopic mass
- 923.64470221
Overview
See also: Phytate Sodium (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Phytate Persodium
- IUPAC
- dodecasodium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
- English name
- myo-Inositol, hexakis(dihydrogen phosphate), dodecasodium salt
- Molecular formula
- C6H19NaO24P6
- Molecular weight
- 684.03
Names & synonyms
Phytate persodiumDodecasodium phytate17211-15-3Phytate persodium [USAN]Sodium fytate (12:1)CCRIS 68493F6PM8J684EINECS 241-253-9Phytate persodium (USAN)Myo-Inositol, hexakis(dihydrogen phosphate), dodecasodium saltMYO-INOSITOL, 1,2,3,4,5,6-HEXAKIS(DIHYDROGEN PHOSPHATE), SODIUM SALT (1:12)RefChem:863066
Show more names
Dodecasodium inositolhexakisphosphatePhytic Acid Dodecasodium Salt Anhydrousmyo-Inositol hexakis(phosphoric acid disodium) saltPhytic Acid Sodium Salt Hydrate (InsP6) extrapure, 70%D-myo-Inositol hexakisphosphoric acid dodecasodium salt
241-253-914306-25-3Phytic acid sodium salt hydrateMFCD00082310Sodium phytate hydratePhytic acid, dodecasodium saltC6H6Na12O24P6Phytic Acid Dodecasodium Salt
Database identifiers
- CAS
17211-15-3
Properties
Computed structural properties
- Topological polar surface area
- 435 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 749
Experimental & physicochemical properties
CosmeticsChelating
Physicochemical properties
- Density
- 1.818 · 1.818[at 20℃]
- vapor pressure
- 30 hPa · 30hPa at 50℃
- storage temp.
- 2 · 2-30°C
- Water Solubility
- 247.6 g/L · 247.6g/L at 24℃
- Major Application
- pharmaceutical
- FDA UNII
- 3 F6PM8J684 · 3F6PM8J684
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271
- WGK Germany
- 3 · WGK 3
- HS Code
- 29199000 · 29199000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Danger
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 11-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27301
Hazard Classes and CategoriesAcute Tox. 4 (80%)
Safety data
- wgk
- WGK 3
- hs_code
- 29199000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P271
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Chelating
Applications
Usespharmaceutical
Upstream & downstream products
Downstream products
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
9 records
Compound notes
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