4-tert-Butylbenzyl alcohol (HCID 13416)

개요

P-tert-Butylbenzyl alcohol is an alkylbenzene.

이름 및 식별자

우선 이름: 4-tert-Butylbenzyl alcohol
IUPAC: (4-tert-butylphenyl)methanol
현지명: 부틸벤질알콜
영어명: 4-TERT-BUTYLBENZYL ALCOHOL
분자식: C11H16O
분자량: 164.24

이름 및 동의어

4-TERT-BUTYLBENZYL ALCOHOL877-65-6Benzenemethanol, 4-(1,1-dimethylethyl)-4(t-Butyl)benzylalcoholT4Q3YX9P4NDTXSID5061249RefChem:100516DTXCID6048595212-894-1FVEINXLJOJPHLH-UHFFFAOYSA-NInChI=1/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H(4-(tert-Butyl)phenyl)methanol

이름 더 보기

4-터트-뷰틸벤질알코올부틸벤질알콜4-터트-뷰틸벤질 알코올ButylbenzylalcoholRARECHEM AL BD 02694-teryt-ButylalcoholP-T-BUTYLBENZYL ALCOHOL4-t-butoxybenzyl alcohol4-Tert-butylbenzylalkoholm-tert-Butylbenzyl alcohol

(4-tert-Butylphenyl)methanol4-t-butylbenzyl alcoholp-tert-Butylbenzyl alcohol4-t-butylbenzylalcoholMFCD000046624-(1,1-Dimethylethyl)benzenemethanol4-(tert-butyl)benzyl alcoholEINECS 212-894-1

데이터베이스 식별자

CAS: 877-65-6
PubChem CID: 13416
DTXSID: DTXSID5061249
ChEBI: CHEBI:167335
UNII: T4Q3YX9P4N
EC Number: 212-894-1
Nikkaji: J149.821E

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 140 °C20 · 140 °C20 mm Hg(lit.)
밀도: 0.928 g/mL · 0.928 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.517(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.51 · 14.51±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
수소이온지수(pH): 7 · 7 (H2O)
폭발한계: 1.1 · 1.1-9.5%(V)
수용성: 알코올에 용해되고 물에 용해되지 않습니다.
BRN: 1860665 · 1860665
InChI: 1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChIKey: FVEINXLJOJPHLH-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(CO)cc1
LogP: 2.761 · 2.761 (est)
NIST: 4 · Benzenemethanol, 4-(1,1-dimethylethyl)-(877-65-6)
EPA: 4 · 4-(1,1-Dimethylethyl)benzenemethanol (877-65-6)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenemethanol, 4-(1,1-dimethylethyl)-

4-t-Butylbenzyl alcohol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29062990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanol, 4-(1,1-dimethylethyl)-: ACTIVE

응용 분야 · 2건

용도4-tert-Butylbenzyl alcohol, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

일반 설명4-tert-Butylbenzyl alcohol forms inclusion complex with β-cyclodextrin and crystal structure of complex has been studied. Selective oxidation of 4-tert-butylbenzyl alcohol by hypochlorite and phase transfer catalyst has been investigated in a membrane reactor.

상·하류 제품 정보

상류 원료

공급사50 곳

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]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

연결된 노트

불러오는 중…

부틸벤질알콜

기본 정보

개요