Basic information
- CAS
2499-59-4- Standard SMILES
C=CC(=O)OCCCCCCCC- InChIKey
ANISOHQJBAQUQP-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- Octyl acrylate
- IUPAC
- octyl prop-2-enoate
- English name
- N-OCTYL ACRYLATE
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
Show more names
Database identifiers
- CAS
2499-59-4- PubChem CID
- 17258
- DTXSID
DTXSID8044624- UNII
- EJN94319DN
- EC Number
- 219-696-4
- Nikkaji
- J99.452I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
Kovats Retention Index
1273;1273
1295;1295
1625;1590;1595
Physicochemical properties
- Melting point
- -58.7 °C · -58.7°C (estimate)
- Boiling point
- 57 °C · 57°C 0,5mm
- Density
- 0 · 0,876 g/cm3
- refractive index
- 1.437 · 1.437 (589.3 nm 20℃)
- Flash point
- 178 · 178
- storage temp.
- Amber Vial, Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- InChI
- 1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
- InChIKey
- ANISOHQJBAQUQP-UHFFFAOYSA-N
- SMILES
- CCCCCCCCOC(=O)C=C
- Indirect Additives used in Food Contact Substances
- OCTYL ACRYLATE
- CAS DataBase Reference
- 2499 · 2499-59-4(CAS DataBase Reference)
- FDA 21 CFR
- 175.3 · 175.300; 175.320; 176.180;177.1630
- FDA UNII
- 94319 DN · EJN94319DN
- EPA Substance Registry System
- Octyl acrylate (2499-59-4)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H317-H318-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- target organs
- Respiratory system
- Hazard Codes
- Xi,N
- Risk Statements
- 36 · 36/37/38-51/53
- Safety Statements
- 26 · 26-36/37/39-61-28
- RIDADR
- 3082 · UN 3082 9 / PGIII
- WGK Germany
- 2 · WGK 2
- TSCA
- TSCA listed
- HS Code
- 2916120090 · 2916120090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Eye · Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 13.3% (31 of 233) of reports.
Warning
H315 (86.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (85.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (48.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 233 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 31 of 233 reports by companies.;There are 16 notifications provided by 202 of 233 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2-Propenoic acid, octyl ester;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2-Propenoic acid, octyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2-Propenoic acid, octyl 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.
Hazard Classes and Categories
Skin Irrit. 2 (86.3%);Eye Irrit. 2 (85.8%);STOT SE 3 (85.4%);Aquatic Chronic 2 (48.1%)
Eye irritation - category 2A;Specific target organ toxicity (single exposure) - category 3;Skin irritation - category 2;Skin sensitisation - category 1;Hazardous to the aquatic environment (chronic) - category 1
Regulatory information
Regulatory Information
Chemical: 2-Propenoic acid, octyl ester;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2-Propenoic acid, octyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2-Propenoic acid, octyl 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
- wgk
- WGK 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9 / PGIII
- hs_code
- 2916120090
- risk_code
- 36/37/38-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xi,N
- safety_code
- 26-36/37/39-61-28
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H318-H335
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Printing and Related Support Activities;Adhesive Manufacturing;Paint and Coating Manufacturing
2-Propenoic acid, octyl ester: ACTIVE
Applications
Usesn-Octyl Acrylate acts as a reagent for the synthesis and properties of poly(n-octyl acrylate) with uniform polystyrene grafts used as compatibilizer for acrylic rubber/polystyrene blends.
Suppliers86 total
Related reactions
Compound notes
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