(+)-디이소프로필L-타르트레이트

Diisopropyl tartrate

HCID 6453580CAS 2217-15-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)C
InChIKey: XEBCWEDRGPSHQH-HTQZYQBOSA-N
분자식: C10H18O6
평균 분자량: 234.25 g/mol
단동위원소 질량: 234.1103383

이름 및 식별자

우선 이름: Diisopropyl tartrate
IUPAC: dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate
현지명: (+)-디이소프로필L-타르트레이트
영어명: (+)-Diisopropyl L-tartrate
분자식: C10H18O6
분자량: 234.25

이름 및 동의어

2217-15-4(+)-Diisopropyl L-tartrateDi-isopropyl tartrate(+)-DIPTDiisopropyl tartrateL-DIPTdiisopropyl (+)-tartrateDiisopropyl (+)-L-tartrate7Z907X7UEYTartaric acid, diisopropyl ester(+)-Tartaric acid diisopropyl esterEINECS 218-709-0

이름 더 보기

(+)-디이소프로필L-타르트레이트DIISOPROPYL L-(+)-TARTRATEDIISOPROPYL (2R,3R)-2,3-DIHYDROXYSUCCINATEC10H18O6(+)-DiisopropyL(+)-Diisopropyl L-taDiisopropyl- L-tartr[-CH(OH)CO2CH(CH3)2]2

BRN 1727863DTXSID4010309832-03-00-00331 (Beilstein Handbook Reference)NSC 406502RefChem:587913DTXCID00129386BUTANEDIOIC ACID, 2,3-DIHYDROXY-(2R,3R)-, 1,4-BIS(1-METHYLETHYL) ESTER218-709-0

데이터베이스 식별자

CAS: 2217-15-4、58167-01-4
PubChem CID: 6453580
DTXSID: DTXSID401030983
UNII: 7Z907X7UEY
EC Number: 218-709-0
Nikkaji: J130.113F

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 93.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 222

물리화학적 성질

끓는 점: 152 °C/12 · 152 °C/12 mmHg (lit.)
밀도: 1.114 g/mL · 1.114 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.439(lit.)
인화점: 229 °F · 229 °F
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 점성 액체
산도 계수 (pKa): 11.7 · 11.70±0.20(Predicted)
Specific Gravity: 1.121 · 1.121.114
색상: 무색의
BRN: 1727863 · 1727863
InChI: 1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m1/s1
InChIKey: XEBCWEDRGPSHQH-HTQZYQBOSA-N
SMILES: CC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)C
NIST: (+)-Diisopropyl tartrate(2217-15-4)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, bis(1-methylethyl) ester

Status: Active Update: 22-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33774

Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, bis(1-methylethyl) ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

안전 데이터

wgk: 3
rtecs: WW8100000
독성: mouse,LD50,oral,6300uL/kg (6.3mL/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
HS 번호: 29181300
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도(+)-Diisopropyl L-Tartrate is a reagent for kinetic resolution of racemic allylic alcohols and α-furfuryl amides by enantioselective epoxidation.

상·하류 제품 정보

상류 원료

Nsc402077 4H-1,3,6,2-Dioxazaborocine, tetrahydro-2-phenyl-(1S,2S,3R,5S)-(+)-2,3-Pinanediol (1R,2R,6S,8R)-2,9,9-Trimethyl-4-phenyl-3,5-dioxa-4-boratricyclo[6.1.1.06]decane cis-1,2-Cyclohexanediol 부틸디에탄올아민 (5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)벤젠 네오펜틸 글리콜 디에틸 타르트라산

하류 제품

2-페닐-1,3,2-디옥사보롤란 디이소프로필(R)-(+)-말레이트

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

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]

成都丽凯手性技术有限公司028-85247892 · [email protected]

연결된 노트

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