CAS 2049-95-8 tert-Amylbenzene (HCID 16295)

이름 및 식별자

우선 이름: tert-Amylbenzene
IUPAC: 2-methylbutan-2-ylbenzene
현지명: 터셔리-아밀벤젠
영어명: tert-Amylbenzene
분자식: C11H16
분자량: 148.24

이름 및 동의어

tert-Pentylbenzenetert-Amylbenzene2049-95-82-Methyl-2-phenylbutaneBenzene, (1,1-dimethylpropyl)-(1,1-DIMETHYLPROPYL)BENZENEBenzene, tert-pentyl-2-Phenyl-2-methylbutaneER8C1TON3XNSC 4025EINECS 218-076-0BRN 2039053

이름 더 보기

터셔리-아밀벤젠TERT-아밀벤젠T-AMYLBENZENEtert-PentylbenT-PENTYLBENZENEtert-pentyl-benzenBenzene,tert-pentytert-Amylbenzene >Benzene, tert-pentyl-

AI3-00117NSC-4025DTXSID7051848EC 218-076-04-05-00-01090 (Beilstein Handbook Reference)tertPentylbenzeneBenzene, tertpentyl2Methyl2phenylbutane

데이터베이스 식별자

CAS: 2049-95-8
PubChem CID: 16295
DTXSID: DTXSID7051848
ChEMBL: CHEMBL1797417
UNII: ER8C1TON3X
EC Number: 218-076-0
Nikkaji: J47.201H

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 107

실험 및 물리화학적 성질

SolventsSolvents -> Aromatic Solvents

SpringerMaterials PropertiesChemical shift

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -44.72 °C · -44.72°C (estimate)
끓는 점: 188 · 188-191°C
밀도: 0 · 0,87 g/cm3
굴절률: 1.496 · 1.4960
인화점: 65 °C · 65°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색~연황색
수용성: 10.5 mg/L · 10.5mg/L(25℃)
BRN: 2039053 · 2039053
Henry's Law Constant: 5.4 · 5.4×10-4 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
주요 응용: 배터리 제조
InChI: InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKey: QHTJSSMHBLGUHV-UHFFFAOYSA-N
SMILES: C1(C(C)(C)CC)=CC=CC=C1
NIST: 2 · 2-Phenyl-2-methyl butane(2049-95-8)
EPA: tert-Amylbenzene (2049-95-8)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H221 (10%): Flammable gas [Danger Flammable gases]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P377, P381, P391, P403, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 26-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10564

Hazards Summary · 1건

Causes acute pulmonary edema, hemorrhage, and focal fibrosis in oral lethal-dose studies of rats; Oral LD50 (rat) = 5 mL/kg; [RTECS] n-Amylbenzene and sec-amylbenzene can cause narcosis at high concentrations; [Hawley] May cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: WGK 3
tsca: TSCA listed
rtecs: DA6720000
ridadr: UN1993 - class 3 - PG 3 - EHS - Flammable liquids, n.o.s., HI: all
독성: LDLo orl-rat: 10 mL/kg AMIHAB 19,403,59
HS 번호: 29029090
safety_code: 23-24/25
포장분류: III
위험 등급: 3
Hazard Classifications: Aquatic Chronic 2Flam. Liq. 3Skin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, (1,1-dimethylpropyl)-: ACTIVE

응용 분야 · 1건

용도The presence of electrolyte additives enhances the performance of lithium ion batteries by improving their thermal stability and ionic conductivity. Additives also reduce the flammability of electrolytes and provide overcharge protection. t-Amyl benzene finds application as additive in lithium ion batteries and its addition in grade would be good expansion of our LIB portfolio.

상·하류 제품 정보

상류 원료

벤젠 삼차-아밀알코올 황산 1,4-DI-TERT-펜틸벤젠 1,1-디메틸-2-프로페닐벤젠 메틸사이클로부탄.네오펜틸 알코올 이소아밀에테르 클로로-2-메틸부탄 3-메틸-1-뷰텐 에틸렌 메틸(2-)-1-부텐

하류 제품

1-bromo-4-(tert-pentyl)benzene

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

화합물 노트

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터셔리-아밀벤젠

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