2-Propenoic acid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester
Basic information
- CAS
95-39-6- Standard SMILES
C=CC(=O)OCC1CC2C=CC1C2- InChIKey
IEOVKCGOIXZDRK-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 2-Propenoic acid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester
- IUPAC
- 2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate
- English name
- Cyclol acrylate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2-Propenoic acid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester2-Propenoic acid, bicyclo(2.2.1)hept-5-en-2-ylmethyl esterRefChem:482115bicyclo[2.2.1]hept-5-en-2-ylmethyl acrylate2-bicyclo[2.2.1]hept-5-enylmethyl prop-2-enoate{bicyclo[2.2.1]hept-5-en-2-yl}methyl prop-2-enoate(Bicyclo[2.2.1]hept-5-en-2-yl)methyl prop-2-enoateSCHEMBL859835-norbornene-2-methanol acrylateDTXSID40861697IEOVKCGOIXZDRK-UHFFFAOYSA-NDB-253454
Show more names
ai3-26532Cyclol acrylate5-norbornene-2-methylolacrylateacrylicacid,5-norbornen-2-methylesteracrylicacid,5-norbornen-2-ylmethylesterAcrylic acid norborn-5-en-2-ylmethyl esterbicyclo(2.2.1)hept-2-en-5-ylmethylacrylatebicyclo(2.2.1)hept-5-ene-2-methylolacrylate(bicyclo[2.2.1]hept-5-en-2-yl)methyl acrylate
NS00041071
Database identifiers
- CAS
95-39-6- PubChem CID
- 7234
- DTXSID
DTXSID40861697- Nikkaji
- J83.961B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 270.46 °C · 270.46°C (rough estimate)
- Density
- 1.0292 · 1.0292 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- Indirect Additives used in Food Contact Substances
- BICYCLO-(2.2.1)HEPT-2-ENE-6-METHYLACRYLATE
- FDA 21 CFR
- 175.105 · 175.105; 176.170; 176.180
- FDA UNII
- 5 K75EW22 · YR5K75EW22
- EPA Substance Registry System
- 5 · 5-Norbornene-2-methylolacrylate (95-39-6)
- TSCA
- TSCA listed
- Hazardous Substances Data
- 95 · 95-39-6(Hazardous Substances Data)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 1410 mg/kg TXAPA9 28,313,74
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: 1410 mg/kg TXAPA9 28,313,74
- Hazardous Substances Data
- 95-39-6(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester: INACTIVE
Applications
UsesA difunctional monomer particularly suited for in situ cross-linking of vinyl acetate emulsions and polymer systems.
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Related reactions
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Compound notes
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