2-(4-tert-부틸페닐)에탄올

p-tert-Butylphenethyl alcohol

HCID 79410CAS 5406-86-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1ccc(CCO)cc1
InChIKey: NZGMMENPUKHODD-UHFFFAOYSA-N
분자식: C12H18O
평균 분자량: 178.27 g/mol
단동위원소 질량: 178.1357652

이름 및 식별자

우선 이름: p-tert-Butylphenethyl alcohol
IUPAC: 2-(4-tert-butylphenyl)ethanol
현지명: 2-(4-tert-부틸페닐)에탄올
영어명: 2-(4-tert-Butylphenyl)ethanol
분자식: C12H18O
분자량: 178.27

이름 및 동의어

2-(4-tert-Butylphenyl)ethanol5406-86-0p-tert-Butylphenethyl alcohol4-TERT-BUTYLPHENETHANOLAES74I7NRUPhenethyl alcohol, p-tert-butyl-Benzeneethanol, 4-(1,1-dimethylethyl)-NSC 5319BRN 2246595NSC-5319EC 410-020-54-06-00-03434 (Beilstein Handbook Reference)

이름 더 보기

2-(4-tert-부틸페닐)에탄올p-tert-Butylphenetanol2-(4-tert-Butylphenyl)ethano4-(tert-Butyl)-benzeneethanolP-TERT-BUTYL PHENETHYL ALCOHOLp-(tert-butyl)-phenethylalcoho4-tert-Butylphenethylalcohol,96%

4-(1,1-DIMETHYLETHYL)BENZENEETHANOLRefChem:858191410-020-52-(4-(tert-Butyl)phenyl)ethanol4-Tert-Butylphenethyl AlcoholPhenethyl alcohol, p-(tert-butyl)-MFCD002360232-(4-TERT-BUTYLPHENYL)ETHAN-1-OL

데이터베이스 식별자

CAS: 5406-86-0
PubChem CID: 79410
DTXSID: DTXSID40202384
UNII: AES74I7NRU
EC Number: 410-020-5、680-290-9
Nikkaji: J50.005D

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 32 · 32-35°C
끓는 점: 141 · 141-143°C 15mm
밀도: 0 · 0,975 g/cm3
굴절률: 1.5209 · 1.5209
인화점: 141 · 141-143°C/15mm
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 14.93 · 14.93±0.10(Predicted)
색상: Off-White to Pale Yellow Waxy
수용성: 물에 불용성.
BRN: 2246595 · 2246595
InChI: 1S/C12H18O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,13H,8-9H2,1-3H3
InChIKey: NZGMMENPUKHODD-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(CCO)cc1

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P203, P260, P264+P265, P273, P280, P305+P354+P338, P317, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P203, P260, P264+P265, P273, P280, P305+P354+P338, P317, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9146

Hazard Classes and Categories · 4건

Eye Dam. 1 (100%)

Reproductive toxicity - category 2

Repr. 2

안전 데이터

wgk: WGK 3
rtecs: SG7875000
ridadr: 3077
HS 번호: 2906290090
risk_code: 41-48/22-51/53-62-52
hazard_code: Xn,N
safety_code: 26-36/37/39-61
포장분류: III
위험 등급: 9
Hazard Classifications: Aquatic Chronic 2Eye Dam. 1Repr. 2STOT RE 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-(4-tert-Butylphenyl)ethanol, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an intermediate in organic synthesis.