Basic information
- CAS
6303-30-6- Standard SMILES
CC(C)COP(=O)(O)OCC(C)C- InChIKey
PVQVJLCMPNEFPM-UHFFFAOYSA-N- Molecular formula
- C8H19O4P
- Average molar mass
- 210.21 g/mol
- Monoisotopic mass
- 210.10209608
Names & identifiers
- Preferred name
- Diisobutyl hydrogen phosphate
- IUPAC
- bis(2-methylpropyl) hydrogen phosphate
- English name
- diisobutyl hydrogen phosphate
- Molecular formula
- C8H19O4P
- Molecular weight
- 210.21
Names & synonyms
Diisobutyl hydrogen phosphatediisobutyl phosphatePhosphoric acid, bis(2-methylpropyl) esterEINECS 228-602-0DTXSID30212316NSC 41918RefChem:587816DTXCID30134807228-602-06303-30-6bis(2-methylpropyl) hydrogen phosphateNSC-41918
Show more names
DiisobutylphosphatePhosphoric acid diisobutyl esterPhosphoric acid hydrogen bis(2-methylpropyl) ester
BIS(2-METHYLPROPOXY)PHOSPHINIC ACIDNSC41918starbld0021042di-isobutylphosphoric acidZ27SZH4QDNSCHEMBL269622orb3144599SCHEMBL9259355
Database identifiers
- CAS
6303-30-6- PubChem CID
- 80550
- DTXSID
DTXSID30212316- UNII
- Z27SZH4QDN
- EC Number
- 228-602-0
- Nikkaji
- J206.882F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Chemical ClassesOrganophosphate diesters (OPDE)
Physicochemical properties
- Boiling point
- 263.6 · 263.6±23.0 °C(Predicted)
- Density
- 1.047 · 1.047[at 20℃]
- vapor pressure
- 4.85 Pa · 4.85Pa at 25℃
- solubility
- 8259 g/L · 8259g/L in organic solvents at 20 ℃
- pka
- 1.6 · 1.60±0.50(Predicted)
- form
- Oil
- color
- Colourless
- Water Solubility
- 22.3 g/L · 22.3g/L at 20℃
- LogP
- 2.6 at · 2.6 at 20℃
- FDA UNII
- 27 SZH4QDN · Z27SZH4QDN
- Signal word
- Danger
- Hazard statements
- 317 · H317-H314
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-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, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 108 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Diisobutyl hydrogen phosphate (EC: 228-602-0)
Phosphoric acid, bis(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 CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Hazard statements
- H317-H314
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
UsesDiisobutyl Phosphate-d14 is the isotope labelled analog of Diisobutyl Phosphate (D455480)
Upstream & downstream products
Downstream products
Suppliers7 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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