Basic information
- CAS
131513-00-3- Standard SMILES
C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)c2ccccc2)cc1- InChIKey
XEJDJFHDOJHPJB-UHFFFAOYSA-N- Molecular formula
- C21H20O6
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.12598835
Overview
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Names & identifiers
- Preferred name
- 2-Propenoic acid, 4-(((4-benzoylphenoxy)carbonyl)oxy)butyl ester
- IUPAC
- 4-(4-benzoylphenoxy)carbonyloxybutyl prop-2-enoate
- English name
- 2-Propenoic acid, 4-(4-benzoylphenoxy)carbonyloxybutyl ester
- Molecular formula
- C21H20O6
- Molecular weight
- 368.38
Names & synonyms
2-Propenoic acid, 4-[[(4-benzoylphenoxy)carbonyl]oxy]butyl ester2-Propenoic acid, 4-(4-benzoylphenoxy)carbonyloxybutyl esterEC 603-491-5DTXSID70751832-Propenoic acid, 4-(((4-benzoylphenoxy)carbonyl)oxy)butyl esterRefChem:482089DTXCID1034052131513-00-3UNII-P9NY190TSE4-(4-Benzoylphenoxy)carbonyloxybutyl prop-2-enoateP9NY190TSE4-(((4-benzoylphenoxy)carbonyl)oxy)butyl acrylate
Show more names
4-(4-benzoylphenoxycarbonyloxy)-n-butyl acrylate4-(4-benzoylphenoxy)carbonyloxybutyl ester-2-Propenoic acid
SCHEMBL991327XEJDJFHDOJHPJB-UHFFFAOYSA-NNS00002732Q272864204-[[(4-Benzoylphenoxy)carbonyl]oxy]butyl 2-propenoate4-{[(4-Benzoylphenoxy)carbonyl]oxy}butyl prop-2-enoate4-(((4-benzoylphenoxy)carbonyl)oxy)butyl ester2-propenoic acid2-PROPENOIC ACID, 4-(((-BENZOYLPHENOXY)CARBONYL)OXY) BUTYL ESTER
Database identifiers
- CAS
131513-00-3
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physicochemical properties
- Boiling point
- 110 ℃ · 110℃ at 101.3kPa
- Density
- 1.124 at · 1.124 at 20℃
- vapor pressure
- 0.003 · 0.003-0.097Pa at 20-45℃
- LogP
- 3.7 at · 3.7 at 20℃ and pH4-9
- FDA UNII
- 9 NY190TSE · P9NY190TSE
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 4-[[(4-benzoylphenoxy)carbonyl]oxy]butyl ester (131513-00-3)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 412 · H412-H317-H400-H225
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P273-P501-P273-P391-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.
Hazard information
Regulatory Information2-Propenoic acid, 4-(4-benzoylphenoxy)carbonyloxybutyl 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.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS09
- Hazard statements
- H412-H317-H400-H225
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P273-P501-P273-P391-P501
Chemistry & industry
Suppliers7 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Jiangsu Nata Opto-electronic Material Co.,Ltd.+86-0512-62520998 +86-15030927757 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
奥盖尼克材料（苏州）有限公司13555462360; 13555462360 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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