基本情報
- CAS
96-70-8- 標準SMILES
CCc1ccc(O)c(C(C)(C)C)c1- InChIKey
LZHCVNIARUXHAL-UHFFFAOYSA-N- 分子式
- C12H18O
- 平均分子量
- 178.27 g/mol
- 単同位体質量
- 178.13576519
名称と識別子
- 優先名称
- 2-tert-Butyl-4-ethylphenol
- IUPAC
- 2-tert-butyl-4-ethylphenol
- 現地名
- 2-tert-ブチル-4-エチルフェノール
- 英語名
- 2-tert-Butyl-4-ethylphenol
- 分子式
- C12H18O
- 分子量
- 178.27
名称と別名
2-tert-Butyl-4-ethylphenol96-70-8Phenol, 2-(1,1-dimethylethyl)-4-ethyl-2-T-BUTYL-4-ETHYLPHENOL4-Ethyl-2-tert-butylphenolDTXSID4044581Phenol, 2-tert-butyl-4-ethyl-DTXCID2024581Benzene, 2-tert-butyl-4-ethyl-1-hydroxy-P944B16873RefChem:89405202-526-8
名称をさらに表示
2-tert-ブチル-4-エチルフェノール2-tert-ブチル-4エチルフェノルBEPD2-BUTYL-2-ETHYL-1,3-PROPANEDIOLAntioxidant T250tert-Butyl-4-ethylph6-di-t-butyl-4-ethylphenol2-tert-butyl-4-ethyl-pheno6-tert-Butyl-p-ethylphenol
2-(tert-Butyl)-4-ethylphenol2-tert-butyl-4-ethyl-phenolHSDB 5305MFCD00069413UNII-P944B16873CS-W017309EN300-20846Q26840733
データベース識別子
- CAS
96-70-8- PubChem CID
- 7309
- DTXSID
DTXSID4044581- ChEMBL
CHEMBL224237- UNII
- P944B16873
- EC Number
- 202-526-8
- Nikkaji
- J182.117B
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 157
実験および物理化学的性質
Chemical ClassesOther Classes -> Phenols
SpringerMaterials PropertiesBoiling point
SolubilitySOL IN ALC; INSOL IN ALKALI
Boiling Point250 °C @ 760 MM HG
Melting Point23 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionWhite to pale brown solid; mp = 28-32 deg C; [MSDSonline]
Collision Cross Section144.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4044581]
物理化学的性質
- 融点
- 28 · 28-32 °C (lit.)
- 沸点
- 250 °C · 250 °C (lit.)
- 比重(密度)
- 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
- 屈折率
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
H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationChemical: Phenol, 2-(1,1-dimethylethyl)-4-ethyl-
Hazards SummaryEmergency treatment: irritants; [HSDB] An irritant; [MSDSonline] See 2-t-Butyl-4-methylphenol.
Hazard Classes and CategoriesSkin Corr. 1B (97.5%)
毒性情報
Non-Human Toxicity ExcerptsINDUCTION OF LIVER MICROSOMAL PROCESSING ENZYMES BY SUBSTITUTED PHENOLS IN RAT LIVERS. AT 1.5 MMOLES/KG/DAY GIVEN ORALLY TO RATS INDUCED HEXOBARBITONE OXIDASE & AMINOPYRINE DEMETHYLASE.
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TY3605000
- ridadr
- UN 2430
- hs_code
- 29071990
- risk_code
- 36/37/38-34
- 化審法
- (3)-521
- hazard_code
- Xi,C
化学と産業
用途と製造
Uses
Used as a chemical intermediate for 2,2'-Methylenebis(6-t-butyl-4-ethylphenol); [HSDB]
CHEM INT FOR 2,2'-METHYLENEBIS(6-T-BUTYL-4-ETHYLPHENOL)
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Methods of ManufacturingPROBABLY BY REACTION OF 4-ETHYLPHENOL WITH ISOBUTYLENE IN THE PRESENCE OF A CATALYST
General Manufacturing InformationPhenol, 2-(1,1-dimethylethyl)-4-ethyl-: ACTIVE
上流・下流製品情報
下流製品
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
関連反応
4 件
化合物ノート
読み込み中…