Isopentyl acrylate
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Basic information
- CAS
4245-35-6- Standard SMILES
C=CC(=O)OCCC(C)C- InChIKey
ZVYGIPWYVVJFRW-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- Isopentyl acrylate
- IUPAC
- 3-methylbutyl prop-2-enoate
- English name
- ACRYLIC ACID ISOAMYL ESTER
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
Isopentyl acrylateEINECS 224-204-6NSC 20955RefChem:792042224-204-6Acrylic acid isoamyl ester4245-35-63-methylbutyl prop-2-enoateACRYLICACIDISOAMYLESTERIsoamyl Acrylate (stabilized with HQ)Isoamyl AcrylateMFCD00053725
Show more names
IsoaMyl Acrylate ACRYLIC ACID ISOAMYL ESTERacrylicacid3-methyl-butylesterIsoamylAcrylate(stabilizedwithHQ)>2-Propenoic acid, 3-methylbutyl ester
Acrylic acid, isopentyl esterIsopentyl acrylate #acrylic acid 3-methyl-butyl ester2-Propenoic acid, 3-methylbutyl esterAcrylic Acid Isopentyl Ester2-Propenoic acid, 3-methylbutylIsoamyl Acrylate, (stabilized with HQ)3-methylbutyl acrylate
Database identifiers
- CAS
4245-35-6- PubChem CID
- 77920
- DTXSID
DTXSID2074661- EC Number
- 224-204-6
- Nikkaji
- J93.724J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -65.52 °C · -65.52°C (estimate)
- Boiling point
- 157 · 157-159°C
- Density
- 0 · 0,9 g/cm3
- refractive index
- 20 · n20/D 1.422(lit.)
- Flash point
- 51 °C · 51°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 3-methylbutyl (4245-35-6)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 35 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 3272
- hs_code
- 2916199590
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Related reactions
2 records
Compound notes
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