Grundinformationen
- Standard-SMILES
C=CC(=O)OC(C)(C)C- InChIKey
ISXSCDLOGDJUNJ-UHFFFAOYSA-N- Summenformel
- C7H12O2
- Durchschnittliche Molmasse
- 128,17 g/mol
- Monoisotopische Masse
- 128,08372962
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl acrylate
- IUPAC
- tert-butyl prop-2-enoate
- Lokaler Name
- tert-Butylacrylat
- Englischer Name
- tert-Butyl acrylate
- Summenformel
- C7H12O2
- Molmasse
- 128.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1663-39-4- PubChem CID
- 15458
- DTXSID
DTXSID8029652- ChEMBL
CHEMBL3560064- UNII
- 92M2CD1O3G
- EC Number
- 216-768-7
- Nikkaji
- J82.107A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 119
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Liquid; [HSDB] Clear colorless liquid; Stabilized with 10-20 ppm of methyl ether of hydroquinone to prevent spontaneous polymerization; [OECD SIDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -69 °C · -69°C
- Siedepunkt
- 61 · 61-63 °C/60 mmHg (lit.)
- Dichte
- 0.875 g/mL · 0.875 g/mL at 25 °C (lit.)
- Dampfdruck
- 20 hPa · 20hPa at 23.4℃
- Brechungsindex
- 20 · n20/D 1.410(lit.)
- Flammpunkt
- 63 °F · 63 °F
- storage temp.
- Flammables area
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Wasserlöslichkeit
- 2 g/L · 2 g/L
- BRN
- 1742329 · 1742329
- InChI
- 1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
- InChIKey
- ISXSCDLOGDJUNJ-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)C=C
- LogP
- 2.32 at · 2.32 at 25℃
- CAS Datenbank
- 1663 · 1663-39-4(CAS DataBase Reference)
- NIST chemische Informationen
- Tert-butyl acrylate(1663-39-4)
- EPA chemische Informationen
- 2 · 2-Propenoic acid, 1,1-dimethylethyl ester (1663-39-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.2% (1 of 556) of reports.
Danger
H225 (99.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propenoic acid, 1,1-dimethylethyl ester
2-Propenoic acid, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1-dimethylethyl 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)
Status: Active Update: 07-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12806
2-Propenoic acid, 1,1-dimethylethyl 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.
Hazards Summary
Allergic contact dermatitis reported in workers handling dental prostheses; [Kanerva, p. 1739] Flammable liquid that poses a fire risk; Emergency treatment: Irritants; [HSDB] May polymerize; A skin and respiratory tract irritant; May cause skin sensitization; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] Butyl acrylates, stabilized (UN2348) has warning of explosive polymerization; [ERG 2016]
DOT Emergency Guidelines
/GUIDE 130P: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Butyl acrylates; Butyl acrylates, inhibited; Butyl acrylates, stabilized/
/GUIDE 130P: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Butyl acrylates; Butyl acrylates, inhibited; Butyl acrylates, stabilized/
/GUIDE 130P: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Butyl acrylates; Butyl acrylates, inhibited; Butyl acrylates, stabilized/
/GUIDE 130P: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Butyl acrylates; Butyl acrylates, inhibited; Butyl acrylates, stabilized/
For more DOT Emergency Guidelines (Complete) data for 2-PROPENOIC ACID, 1,1-DIMETHYLETHYL ESTER (8 total), please visit the HSDB record page.
Hazard Classes and Categories
Flam. Liq. 2 (99.8%)
Flammable liquid - category 2
Flammable liquids - Category 2
Flam. Liq. 2
Sicherheit und Schutzausrüstung
Toxikologische Informationen
Sicherheitsdaten
- F
- 10
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29161290
- risk_code
- 11-20/21/22-37/38-43-52/53-51/53
- hazard_code
- F,Xn,N
- safety_code
- 16-25-37-61
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 1663-39-4(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a monomer for acrylic resins used in surface coatings; [HSDB] Used as an intermediate for homopolymers and copolymers; Also used as a feedstock for chemical synthesis; [OECD SIDS]
Plastic Composites Manufacturing [Category: Industry]
MONOMER FOR ACRYLIC RESINS
MONOMER FOR ACRYLIC RESINS USED IN SURFACE COATINGS
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 75,000 - <500,000 lb
(1979) No Data
(1981) No Data
General Manufacturing Information
Plastics Material and Resin Manufacturing
2-Propenoic acid, 1,1-dimethylethyl ester: ACTIVE
Anwendungen
Verwendentert-Butyl acrylate is a monomer used in the production of poly(tert-butyl acrylate) polymers, poly(acrylic acid) polyelectrolyte brushes and 3-(3-methyl-but-3-enyloxy)-propionic acid tert-butyl ester. It is also used in paints, coatings, high polymer paper conditioner, nursing polymer products and carbonyl reforming polyolefin. Further, it serves as an important raw material in organic synthesis.
Darstellung
synthetischeAcrylic acid, strongly acidic cation exchange resin, a polymerization inhibitor A, B polymerization inhibitor, liquefied isobutene was 320 parts by mass of the parts, 35 parts, 20 parts, 5 parts, 430 parts. After a dropping time of 3 hours, the esterification reaction temperature was maintained at 10 ° C. After the addition was completed, 10 ° C was under insulation, and thermal insulation was 7 hours. Quality copies obtained 450 parts of tert-butyl acrylate, and the yield was 99.7%.
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