Benzene, (triethoxymethyl)-

HCID 74268CAS 1663-61-2

기본 정보

표준 SMILES: CCOC(OCC)(OCC)c1ccccc1
InChIKey: BQFPCTXLBRVFJL-UHFFFAOYSA-N
분자식: C13H20O3
평균 분자량: 224.3 g/mol
단동위원소 질량: 224.1412445

이름 및 식별자

우선 이름: Benzene, (triethoxymethyl)-
IUPAC: triethoxymethylbenzene
영어명: Triethyl orthobenzoate
분자식: C13H20O3
분자량: 224.3

이름 및 동의어

(Triethoxymethyl)benzeneTriethyl orthobenzoateBenzene, (triethoxymethyl)-EINECS 216-771-3AI3-11563RefChem:562153216-771-31663-61-2triethoxymethylbenzeneEthyl orthobenzoateMFCD00009222Orthobenzoic acid, triethyl ester

이름 더 보기

Triethyl benzoateTriethyl orthobenzoaTRIETIL-ORTOBENZOATOTriethoxyphenylmethaneα,α,α-Triethoxytoluene(triethoxymethyl)-benzenBenzene,(triethoxymethyl)-

Orthobenzoic Acid Triethyl EsterTriethylorthobenzoateOrthobenzoic Acid, Triethyl Ester (6CI,7CI,8CI); (Triethoxymethyl)benzene; Ethyl Orthobenzoate; Triethoxyphenylmethane;(Triethoxymethyl)benzene #SCHEMBL379267DTXSID7061859SCHEMBL17923287BQFPCTXLBRVFJL-UHFFFAOYSA-

데이터베이스 식별자

CAS: 1663-61-2
PubChem CID: 74268
DTXSID: DTXSID7061859
EC Number: 216-771-3
Nikkaji: J121.636H

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 239 · 239-241 °C (lit.) 80 °C/0.1 mmHg (lit.)
밀도: 0.991 g/mL · 0.991 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.472(lit.)
인화점: 206 °F · 206 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 0.991 · 0.991
색상: 무색의
수용성: 가수 분해
BRN: 645341 · 645341
InChI: InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKey: BQFPCTXLBRVFJL-UHFFFAOYSA-N
SMILES: C1(C(OCC)(OCC)OCC)=CC=CC=C1
NIST: Benzene, (triethoxymethyl)-(1663-61-2)
EPA: Ethyl orthobenzoate (1663-61-2)

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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163990
risk_code: 36/37/38-36/37-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, (triethoxymethyl)-: INACTIVE

응용 분야

용도Triethyl Orthobenzoate can be used as a thermal additive to air conditioning refrigerant oil. This compound can also be used as a catalyst for olefin polymerization.