CAS 83540-97-0 Diisopropyl (R)-(+)-malate (HCID 10921962)

기본 정보

CAS: 83540-97-0
표준 SMILES: CC(C)OC(=O)C[C@@H](O)C(=O)OC(C)C
InChIKey: XYVHRFVONMVDGK-MRVPVSSYSA-N
분자식: C10H18O5
평균 분자량: 218.25 g/mol
단동위원소 질량: 218.11542368

이름 및 식별자

우선 이름: Diisopropyl (R)-(+)-malate
IUPAC: dipropan-2-yl (2R)-2-hydroxybutanedioate
현지명: 디이소프로필(R)-(+)-말레이트
영어명: Diisopropyl (R)-(+)-malate
분자식: C10H18O5
분자량: 218.25

이름 및 동의어

83540-97-0Diisopropyl (R)-(+)-malateDTXSID60448449RefChem:338298DTXCID10399270623-300-9(R)-Diisopropyl 2-hydroxysuccinatediisopropyl (R)-2-hydroxysuccinateMFCD00274204dipropan-2-yl (2R)-2-hydroxybutanedioatediisopropyl-(R)-(+)-malateSCHEMBL2246742

이름 더 보기

디이소프로필(R)-(+)-말레이트Diisopropyl D-malate-Diisopropyl 2-hydroxysuccinate1,4-Bis(1-methylethyl) (2R)-malateDiisopropyl (R)-(+)-2-hydroxysuccinate1,4-Bis(1-methylethyl) (2R)-2-hydroxybutanedioate(2R)-2-Hydroxybutanedioic acid 1,4-bis(1-methylethyl) esterButanedioic acid,2-hydroxy-,1,4-bis(1-methylethyl) ester,(2R)-

XYVHRFVONMVDGK-MRVPVSSYSA-NAKOS016843641diisopropyl (2R)-2-hydroxybutanedioateDS-4999DB-075944Di(propan-2-yl) (2R)-2-hydroxybutanedioateF238894

데이터베이스 식별자

CAS: 83540-97-0
PubChem CID: 10921962
DTXSID: DTXSID60448449
EC Number: 623-300-9
Nikkaji: J1.582.081K

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 72.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 15
형식 전하: 0
복잡도: 222

물리화학적 성질

끓는 점: 237 °C · 237 °C(lit.)
밀도: 1.055 g/mL · 1.055 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.43(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 12.45 · 12.45±0.20(Predicted)

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.