기본 정보
- CAS
1746-23-2- 표준 SMILES
C=Cc1ccc(C(C)(C)C)cc1- InChIKey
QEDJMOONZLUIMC-UHFFFAOYSA-N- 분자식
- C12H16
- 평균 분자량
- 160.25 g/mol
- 단동위원소 질량
- 160.12520051
이름 및 식별자
- 우선 이름
- 4-tert-Butylstyrene
- IUPAC
- 1-tert-butyl-4-ethenylbenzene
- 영어명
- 4-tert-Butylstyrene
- 분자식
- C12H16
- 분자량
- 160.26
이름 및 동의어
4-tert-Butylstyrene1746-23-2p-tert-Butylstyrene1-tert-butyl-4-ethenylbenzenep-t-ButylstyreneBenzene, 1-(1,1-dimethylethyl)-4-ethenyl-Styrene, p-tert-butyl-1-tert-Butyl-4-vinylbenzene1-(1,1-Dimethylethyl)-4-ethenylbenzene4-t-butylstyreneDTXSID00223054-t-butyl styrene
이름 더 보기
T-BUTYL STYRENEBUTYLSTYRENE-TERT4-tert-Butylstyrene 4-tert-Butylstyrene
9PCT9CBW0VEINECS 217-126-9DTXCID802305EC 217-126-94-T-BUTYL STYRENE [INCI]1-ETHENYL-4-TERT-BUTYLBENZENE1tertButyl4vinylbenzeneRefChem:526908
데이터베이스 식별자
- CAS
1746-23-2- PubChem CID
- 15627
- DTXSID
DTXSID0022305- ChEMBL
CHEMBL3183165- UNII
- 9PCT9CBW0V
- EC Number
- 217-126-9
- Nikkaji
- J112.945G
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 142
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> Styrenes
Physical Description
Liquid
Colorless liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -38 °C · -38°C
- 끓는 점
- 91 · 91-92 °C/9 mmHg (lit.)
- 밀도
- 0.875 g/mL · 0.875 g/mL at 25 °C (lit.)
- 증기압
- 18.5 Pa · 18.5Pa at 25℃
- 굴절률
- 20 · n20/D 1.526(lit.)
- 인화점
- 181 °F · 181 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- 수용성
- 물과 섞이지 않습니다.
- BRN
- 1903714 · 1903714
- InChI
- 1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3
- InChIKey
- QEDJMOONZLUIMC-UHFFFAOYSA-N
- SMILES
- CC(C)(C)c1ccc(C=C)cc1
- LogP
- 4.44 at · 4.44 at 20℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H304 (62.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P203, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P331, 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 169 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Benzene, 1-(1,1-dimethylethyl)-4-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(1,1-dimethylethyl)-4-ethenyl- 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)
REACH registered substance: p-tert-butylstyrene (EC: 217-126-9)
Hazards SummaryMay polymerize; A skin and strong eye irritant; [Alfa Aesar MSDS] See Styrene.
Hazard Classes and CategoriesAsp. Tox. 1 (62.1%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- HS 번호
- 29029090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
화학 및 산업
용도 및 제조
Uses
Used to make unsaturated polyester resin and rubber and plastic products; [ExPub: ECHA REACH Registrations]
Plastic Composites Manufacturing [Category: Industry]
U.S. Production2023: 344,800 lb
Industry UsesMonomers
General Manufacturing Information
Plastics Material and Resin Manufacturing
Benzene, 1-(1,1-dimethylethyl)-4-ethenyl-: ACTIVE
응용 분야
용도4-tert-Butylstyrene is used as pharmaceutical intermediates.
제조 방법
A catalyst was prepared by dissolving 0.1 g of palladium in 10 ml. of pyridine, adding 10 ml. of silica gel particles to the solution, and evaporating the mixture to dryness. The obtained catalyst (10 ml.), 20 ml. of tert-butylbenzene, and 10 ml. of acetic acid were enclosed in a microbomb having an inner volume of 50 ml., and ethylene and oxygen were introduced into the bomb in terms of a pressure of 10 kg/cm2 and 30 kg/cm2, respectively, from the upper valve. The reaction was carried out at 150°C for 5 hours with laying said bomb in an oil bath equipped with a shaking means. tert-Butylstyrene was yielded in a proportion of 470 %, based on the mole of palladium in the used catalyst.
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