(+)-디메틸L-타르트레이트

Dimethyl L-tartrate

HCID 11851CAS 608-68-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)[C@H](O)[C@@H](O)C(=O)OC
InChIKey: PVRATXCXJDHJJN-QWWZWVQMSA-N
분자식: C6H10O6
평균 분자량: 178.14 g/mol
단동위원소 질량: 178.04773804

이름 및 식별자

우선 이름: Dimethyl L-tartrate
IUPAC: dimethyl (2R,3R)-2,3-dihydroxybutanedioate
현지명: (+)-디메틸L-타르트레이트
영어명: (+)-Dimethyl L-tartrate
분자식: C6H10O6
분자량: 178.14

이름 및 동의어

608-68-4Dimethyl L-tartrateL-DIMETHYL TARTRATEEINECS 210-166-8Dimethyl (R(R*,R*))-tartrateNSC 517Dimethyl [R(R*,R*)]-tartrateDTXSID50883209L(+)tartaric acid dimethyl esterLDimethyl tartrate(+)Dimethyl LtartrateRefChem:588280

이름 더 보기

(+)-디메틸L-타르트레이트L-DMT(+)-DimethyL[-CH(OH)CO2CH3]2(+)-Dimethyl L-tartrL-DiMethyl L-tartrate(+)-DIMETHYL TARTRATE(+) Dimethyl tartrateL(+)-DIMETHYL TARTRATE(+)-DimethylL-tartrate

Dimethyl (R(R*,R*))tartrateDTXCID9010227571,4-Dimethyl 2,3-dihydroxy-(2R,3R)butanedioateButanedioic acid, 2,3dihydroxy (2R,3R), dimethyl esterButanedioic acid, 2,3dihydroxy (2R,3R), 1,4dimethyl esterButanedioic acid, 2,3-dihydroxy-(2R,3R)-, 1,4-dimethyl ester210-166-8(+)-Dimethyl L-tartrate

데이터베이스 식별자

CAS: 608-68-4
PubChem CID: 11851
DTXSID: DTXSID50883209
UNII: R2E7EA6BJ2
EC Number: 210-166-8
Nikkaji: J127.927K

물성

구조 계산 물성

XLogP: -1
극성 표면적: 93.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 157

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other

Vapor Pressure0.000647 [mmHg]

Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 57 · 57-60 °C (dec.) (lit.)
끓는 점: 163 °C/23 · 163 °C/23 mmHg (lit.)
밀도: 1.238 g/mL · 1.238 g/mL at 25 °C (lit.)
굴절률: 21 ° · 21 ° (C=2.5, H2O)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 크리스탈
산도 계수 (pKa): 11.44 · 11.44±0.20(Predicted)
색상: 하얀색
Specific Gravity: 1.3046 · 1.3046 (50/4℃)
수용성: 물에 용해됩니다.
BRN: 1726256 · 1726256
InChI: 1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4-/m1/s1
InChIKey: PVRATXCXJDHJJN-QWWZWVQMSA-N
SMILES: COC(=O)[C@H](O)[C@@H](O)C(=O)OC
LogP: -1.35 · -1.350 (est)
NIST: 2 · Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dimethyl ester(608-68-4)
EPA: 2 · Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dimethyl ester (608-68-4)

화학적 성질

Colorless to light yellow liqui

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationButanedioic acid, 2,3-dihydroxy- (2R,3R)-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See L-Tartaric acid.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29181300
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37-26
기존화학 물질: KE-11861
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationButanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dimethyl ester: ACTIVE

응용 분야

용도(+)-Dimethyl L-tartrate is used as a starting reagent in the synthesis of (+)-Monomorine I, a pyrrolidine-based alkaloid that is a trail pheromone of the Pharaoh’s ant (Monomorium pharaonis).