기본 정보
- 표준 SMILES
C=CC(=O)OC(C)(C)C- InChIKey
ISXSCDLOGDJUNJ-UHFFFAOYSA-N- 분자식
- C7H12O2
- 평균 분자량
- 128.17 g/mol
- 단동위원소 질량
- 128.08372962
개요
structure in first source
이름 및 식별자
- 우선 이름
- tert-Butyl acrylate
- IUPAC
- tert-butyl prop-2-enoate
- 현지명
- 아크릴산 t-부틸
- 영어명
- tert-Butyl acrylate
- 분자식
- C7H12O2
- 분자량
- 128.17
이름 및 동의어
tert-Butyl acrylate1663-39-4tert-Butyl propenoateAcrylic acid, tert-butyl ester2-PROPENOIC ACID, 1,1-DIMETHYLETHYL ESTERDTXSID802965292M2CD1O3GNSC-20950DTXCID409652RefChem:894614216-768-7tert-butyl prop-2-enoate
이름 더 보기
2-프로펜산,1,1-다이메틸에틸에스터t-부틸아크릴레이트아크릴산t-부틸터트-뷰틸아크릴산염터트-부틸아크릴산염터트-뷰틸아크릴산염(tert-BUTYLACRYLATE)2-프로펜산, 1,1-다이메틸에틸 에스터TBATERTIARY-BUTYL ACRYLATETERT-BUTYL ACRYLATE (TBA)tert-butylpropenoateAcrylic acid tert-butylTBA tert-Butyl acrylate
t-Butyl acrylateAcrylic Acid tert-Butyl Ester2-propenoic acid tert-butyl ester1,1-dimethylethyl 2-propenoatetert-Butyl 2-propenoateMFCD00008809tert-Butyl Acrylate (stabilized with MEHQ)acrylics
데이터베이스 식별자
- CAS
1663-39-4- PubChem CID
- 15458
- DTXSID
DTXSID8029652- ChEMBL
CHEMBL3560064- UNII
- 92M2CD1O3G
- EC Number
- 216-768-7
- Nikkaji
- J82.107A
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 119
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> (Meth)acrylates
SpringerMaterials PropertiesOptical coefficient
Density0.879 AT 25 °C
Color/FormLIQUID
Flash Point66 °F OC
Boiling Point120 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Refractive IndexINDEX OF REFRACTION: 1.4080 AT 25 °C/D
Physical Description
Liquid
Liquid; [HSDB] Clear colorless liquid; Stabilized with 10-20 ppm of methyl ether of hydroquinone to prevent spontaneous polymerization; [OECD SIDS]
물리화학적 성질
- 녹는점
- -69 °C · -69°C
- 끓는 점
- 61 · 61-63 °C/60 mmHg (lit.)
- 밀도
- 0.875 g/mL · 0.875 g/mL at 25 °C (lit.)
- 증기압
- 20 hPa · 20hPa at 23.4℃
- 굴절률
- 20 · n20/D 1.410(lit.)
- 인화점
- 63 °F · 63 °F
- 저장 조건
- Flammables area
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 2 g/L · 2g/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℃
- NIST
- Tert-butyl acrylate(1663-39-4)
- EPA
- 2 · 2-Propenoic acid, 1,1-dimethylethyl ester (1663-39-4)
화학적 성질
clear liquid
안전 및 규제
GHS 분류
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]
유해성 정보
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.
Fire PotentialFLAMMABLE, DANGEROUS FIRE RISK.
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
안전 및 보호
Preventive MeasuresADEQUATE EXHAUST VENTILATION SHOULD BE PROVIDED TO PROTECT THE WORKER FROM INHALATION OF FUMES. WORKERS SHOULD BE PROVIDED WITH HAND PROTECTION & EYE & FACE PROTECTION. MAINTENANCE & GOOD HOUSEKEEPING SHOULD BE ENSURED. /ACRYLIC RESINS/
독성 정보
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Human Toxicity ExcerptsTHE LOWER-MOLECULAR-WT ESTERS OF ACRYLIC ACIDS ARE IRRITANTS TO SKIN, EYES, & MUCOUS MEMBRANES. /ESTERS OF ACRYLIC ACID/
Toxicity DataLC50 (rat) = 7,000 mg/m3/4hr
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- HS 번호
- 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
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-29493
- F 고인화성물질
- 10
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 1663-39-4(Hazardous Substances Data)
화학 및 산업
용도 및 제조
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
Industry UsesIntermediate
Methods of ManufacturingREACTION OF ISOBUTYLENE WITH METHACRYLIC ACID; REACTION OF TERT-BUTYL ALCOHOL WITH METHACRYLOYL CHLORIDE
Formulations/PreparationsCOMMERCIAL GRADE CONTAINS 100 PPM HYDROQUINONE MONOMETHYL ETHER AS STABILIZER.
General Manufacturing Information
Plastics Material and Resin Manufacturing
2-Propenoic acid, 1,1-dimethylethyl ester: ACTIVE
응용 분야
용도tert-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.
제조 방법
Acrylic 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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