基本情報
- CAS
1746-23-2- 標準SMILES
C=Cc1ccc(C(C)(C)C)cc1- InChIKey
QEDJMOONZLUIMC-UHFFFAOYSA-N- 分子式
- C12H16
- 平均分子量
- 160.25 g/mol
- 単同位体質量
- 160.12520051
名称と識別子
- 優先名称
- 4-tert-Butylstyrene
- IUPAC
- 1-tert-butyl-4-ethenylbenzene
- 現地名
- 4-tert-ブチルスチレン
- 英語名
- 4-tert-Butylstyrene
- 分子式
- C12H16
- 分子量
- 160.26
名称と別名
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
名称をさらに表示
4-tert-ブチルスチレン4-tert-ブチルスチレン, 94%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
データベース識別子
- CAS
1746-23-2- PubChem CID
- 15627
- DTXSID
DTXSID0022305- ChEMBL
CHEMBL3183165- UNII
- 9PCT9CBW0V
- EC Number
- 217-126-9
- Nikkaji
- J112.945G
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 142
実験および物理化学的性質
PolymersPlastics & Rubber -> Styrenes
Physical Description
Liquid
Colorless liquid; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -38 °C · -38°C
- 沸点
- 91 · 91-92 °C/9 mmHg (lit.)
- 比重(密度)
- 0.875 g/mL · 0.875 g/mL at 25 °C (lit.)
- 蒸気圧
- 18.5 Pa · 18.5Pa at 25℃
- 屈折率
- 20 · n20/D 1.526(lit.)
- 闪点
- 181 °F · 181 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- 水には混和しません。
- 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℃
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- hs_code
- 29029090
- risk_code
- 36/37/38
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
化学と産業
用途と製造
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
応用分野
使用4-tert-Butylstyrene is used as pharmaceutical intermediates.
調製方法
製造方法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.
上流・下流製品情報
下流製品
関連反応
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化合物ノート
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