Methacryloyloxydecyl dihydrogen phosphate
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Basic information
- CAS
85590-00-7- Standard SMILES
C=C(C)C(=O)OCCCCCCCCCCOP(=O)(O)O- InChIKey
CFKBCVIYTWDYRP-UHFFFAOYSA-N- Molecular formula
- C14H27O6P
- Average molar mass
- 322.33 g/mol
- Monoisotopic mass
- 322.15452557
Overview
structure given in first source
Names & identifiers
- Preferred name
- Methacryloyloxydecyl dihydrogen phosphate
- IUPAC
- 10-phosphonooxydecyl 2-methylprop-2-enoate
- English name
- 12-Methacryloyldodeylphosphate
- Molecular formula
- C14H27O6P
- Molecular weight
- 322.33
Names & synonyms
85590-00-7Methacryloyloxydecyl dihydrogen phosphateMADDPDTXSID80234806methacryloxydecyl dihydrogen phosphate10-MDP10-MDP compound10-MDP cpdRefChem:156845DTXCID7015729710-(phosphonooxy)decyl methacrylate2-Propenoic acid, 2-methyl-, 10-(phosphonooxy)decyl ester
Show more names
12-Methacryloyldocecylphosphate12-METHACRYLOYLDODEYLPHOSPHONATE
12-Methacryloyldodeylphosphate10-phosphonooxydecyl 2-methylprop-2-enoate10-methacryloyloxydecyl dihydrogen phosphateMFCD1944116410-MethacryloyldecylphosphateEstenia Opaque Primermono-10-methacryloyloxydecyl phosphate10-(phosphonooxy)decyl 2-methylprop-2-enoate
Database identifiers
- CAS
85590-00-7- PubChem CID
- 135071
- DTXSID
DTXSID80234806- EC Number
- 874-929-2
- Nikkaji
- J364.144I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 450.2 · 450.2±37.0 °C(Predicted)
- Density
- 1.136 · 1.136
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile (Slightly, Heated, Sonicated), Aqueous Base (Very Slightly)
- form
- Solid
- pka
- 1.95 · 1.95±0.10(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C14H27O6P/c1-13(2)14(15)19-11-9-7-5-3-4-6-8-10-12-20-21(16,17)18/h1,3-12H2,2H3,(H2,16,17,18)
- InChIKey
- CFKBCVIYTWDYRP-UHFFFAOYSA-N
- SMILES
- C(OCCCCCCCCCCOP(O)(O)=O)(=O)C(C)=C
- 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 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
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
Applications
Uses10MDP/12-Methacryloyldodeylphosphate is a compound used in dentistry. It is used to formulate a bonding agent consisting of calcium phosphate powder mixed with adhesive monomer used in pulp capping.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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