Basic information
- CAS
2466-73-1- Standard SMILES
CC(C)COP(=O)(O)O- InChIKey
SVBLDLLXNRGMBG-UHFFFAOYSA-N- Molecular formula
- C4H11O4P
- Average molar mass
- 154.1 g/mol
- Monoisotopic mass
- 154.03949583
Names & identifiers
- Preferred name
- 2-Methylpropyl dihydrogen phosphate
- IUPAC
- 2-methylpropyl dihydrogen phosphate
- English name
- isobutyl dihydrogen phosphate
- Molecular formula
- C4H11O4P
- Molecular weight
- 154.101501
Names & synonyms
Isobutyl dihydrogen phosphate2466-73-12-methylpropyl dihydrogen phosphatePhosphoric acid, mono(2-methylpropyl) ester84593-27-1EINECS 219-576-1EINECS 283-250-5Phosphoric acid, 2-methylpropyl esterDTXSID80862961RefChem:476212DTXCID30207383219-576-1
Show more names
Phosphorsaeure-sec.-butylesterPhosphoric acid dihydrogen 2-methylpropyl ester
283-250-5isobutyl alcohol phosphateSCHEMBL759100SCHEMBL1515118SCHEMBL9257926SCHEMBL10881159SVBLDLLXNRGMBG-UHFFFAOYSA-NMFCD32222305
Database identifiers
- CAS
2466-73-1、84593-27-1- PubChem CID
- 75574
- DTXSID
DTXSID80862961- EC Number
- 219-576-1、283-250-5
- Nikkaji
- J216.108G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 263.3 · 263.3±23.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 2.01 · 2.01±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: Phosphoric acid, mono(2-methylpropyl) ester
Phosphoric acid, mono(2-methylpropyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Corr. 1B (100%)
Skin Corr. 1C (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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