디-터트-부틸옥살산염

Di-tert-butyl oxalate

HCID 69651

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 691-64-5
표준 SMILES: CC(C)(C)OC(=O)C(=O)OC(C)(C)C
InChIKey: CIYGMWIAXRMHQS-UHFFFAOYSA-N
분자식: C10H18O4
평균 분자량: 202.25 g/mol
단동위원소 질량: 202.12050905

이름 및 식별자

우선 이름: Di-tert-butyl oxalate
IUPAC: ditert-butyl oxalate
현지명: 디-터트-부틸옥살산염
영어명: Di-tert-butyl oxalate
분자식: C10H18O4
분자량: 202.25

이름 및 동의어

Di-tert-butyl oxalate691-64-5EINECS 211-723-8DTXSID202191571,2-Bis(1,1-dimethylethyl) ethanedioateRefChem:586110DTXCID40141648211-723-8di-tert-butyloxalateditert-butyl oxalateoxalic acid di-tert-butyl esterdi-t-butyl oxalate

이름 더 보기

디-터트-부틸옥살산염itert-butyloxalatedi-tert-butylacidesterDi-tert-butyl oxalate 99%Di-tert-butyl oxalate, 97%

MFCD00008806Ethanedioic acid, bis(1,1-dimethylethyl) esterBis(1,1-dimethylethyl) oxalateEthanedioic acid, 1,2-bis(1,1-dimethylethyl) esterGDT3TXT9FWOxalic acid bis(1,1-dimethylethyl) esterditert-butyl ethanedioateDi-tert-butyl ethanedioate

데이터베이스 식별자

CAS: 691-64-5
PubChem CID: 69651
DTXSID: DTXSID20219157
UNII: GDT3TXT9FW
EC Number: 211-723-8
Nikkaji: J206.005A

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 203

물리화학적 성질

녹는점: 69 · 69-72 °C (lit.)
끓는 점: 229 °C · 229 °C
밀도: 1.007 · 1.007±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
BRN: 1774415 · 1774415
InChI: 1S/C10H18O4/c1-9(2,3)13-7(11)8(12)14-10(4,5)6/h1-6H3
InChIKey: CIYGMWIAXRMHQS-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)C(=O)OC(C)(C)C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.