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Basic information
- CAS
42516-28-9- Standard SMILES
CCOC(=O)C=CCP(=O)(OCC)OCC- InChIKey
LXLODBXSCRTXFG-UHFFFAOYSA-N- Molecular formula
- C10H19O5P
- Average molar mass
- 250.23 g/mol
Names & identifiers
- Preferred name
- ethyl (2E)-4-(diethoxyphosphoryl)but-2-enoate
- IUPAC
- ethyl 4-diethoxyphosphorylbut-2-enoate
- English name
- Triethyl 4-phosphonocrotonate
- Molecular formula
- C10H19O5P
- Molecular weight
- 250.23
Names & synonyms
ethyl (2E)-4-(diethoxyphosphoryl)but-2-enoateRefChem:592957868-050-3Ethyl 4-(diethoxyphosphoryl)-2-butenoateethyl 4-diethoxyphosphorylbut-2-enoateNSC 1007482-Butenoic acid, 4-(diethoxyphosphinyl)-, ethyl esterNSC100748trans-Ethyl-4-(diethylphosphono)crotonateSCHEMBL1399032LXLODBXSCRTXFG-UHFFFAOYSA-NAKOS028108625
Show more names
Ethyl (2E)-4-(diethoxyphosphinyl)-2-butenoatetrans-Ethyl-4-(diethylphosphono)crotonate, min.2-Butenoic acid, 4-(diethoxyphosphinyl)-, ethyl ester, (2E)-trans-Ethyl-4-(diethylphosphono)crotonate, min. 90 % (E/Z:95/5)
AT38211NS000155054-(Diethoxyphosphinyl)-2-butenoic acid ethyl ester
Database identifiers
- CAS
42516-28-9- PubChem CID
- 264997
- EC Number
- 868-050-3
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 109 · 109-112 °C(Press: 0.01 Torr)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2931499090 · 2931499090
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers16 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海有德化工科技有限公司021-37910092 15821801668 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
8 records
Compound notes
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