Dihexyl phosphate
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Basic information
- CAS
3900-13-8- Standard SMILES
CCCCCCOP(=O)(O)OCCCCCC- InChIKey
HUDSKKNIXMSHSZ-UHFFFAOYSA-N- Molecular formula
- C12H27O4P
- Average molar mass
- 266.31 g/mol
- Monoisotopic mass
- 266.16469634
Names & identifiers
- Preferred name
- Dihexyl phosphate
- IUPAC
- dihexyl hydrogen phosphate
- English name
- dihexyl hydrogen phosphate
- Molecular formula
- C12H27O4P
- Molecular weight
- 266.31
Names & synonyms
Dihexyl hydrogen phosphatedihexyl phosphate3900-13-8Phosphoric acid, dihexyl ester7SOZ72T750EINECS 223-452-2DTXSID40192276HEXYL PHOSPHATE ((C6H13O)2(HO)PO)RefChem:587642DTXCID50114767223-452-2UNII-7SOZ72T750
Show more names
Phosphoric acid hydrogen dihexyl ester
phosphoric acid dihexyl esterSCHEMBL187773SCHEMBL6959795HUDSKKNIXMSHSZ-UHFFFAOYSA-NTP1/Phosphoric acid, trihexyl esterNS00046286Q27268794
Database identifiers
- CAS
3900-13-8- PubChem CID
- 77505
- DTXSID
DTXSID40192276- UNII
- 7SOZ72T750
- EC Number
- 223-452-2
- Nikkaji
- J217.744G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Organophosphates, Other
Organophosphate diesters (OPDE)
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 133 · 133-138 °C(Press: 0.0001 Torr)
- Density
- 1.018 g/cm3 · 1.018 g/cm3
- pka
- 1.52 · 1.52±0.50(Predicted)
- FDA UNII
- 7 SOZ72T750 · 7SOZ72T750
- Symbol(GHS)
- 5 · GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 318 · H318-H314-H411
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
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 1% (1 of 105) of reports.
Danger
H314 (99%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphoric acid, dihexyl ester
Phosphoric acid, dihexyl 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.
Hazards SummarySee Di(ethylhexyl)phosphate and Dibutyl phosphate.
Hazard Classes and CategoriesSkin Corr. 1B (99%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- Hazard statements
- H318-H314-H411
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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