Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

METHYL (R)-2,2-DIMETHYL-1,3-DIOXOLANE-4-CARBOXYLATE · methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate · D67417 · 3-METHOXY-5,5,8,8-... · (R)-METHYL-O-ISOPROPYLIDENE GLYCERATE · Methyl α,β-isopropylidene-D-glycerate · METHYL 2,3-O-ISOPROPYLIDENE-D-GLYCERATE · (+)-Methyl 2,3-O-Isopropylidene-D-glycerate

https://huagongshe.com/ko/chemical/853166

Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.	52373-72-5
분자식	C7H12O4
평균 분자량	160.17 g/mol
단동위원소 질량	160.07355886 g/mol
SMILES	COC(=O)[C@H]1COC(C)(C)O1
InChIKey	DOWWCCDWPKGNGX-RXMQYKEDSA-N
PubChem CID	853166
EC No.	610-831-6
DTXSID	DTXSID00357405

화학 및 물리적 성질

XLogP	0.4
극성 표면적	44.8
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	164
끓는 점	70-75 °C/10 mmHg (lit.)
밀도	1.106 g/mL at 25 °C (lit.)
굴절률	n20/D 1.426
인화점	173 °F
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	아세톤(약간), 클로로포름(약간), 메탄올(약간)에 용해됨
물리적 상태	기름
색상	노란색
BRN	4292353
InChI	InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKey	DOWWCCDWPKGNGX-RXMQYKEDSA-N
SMILES	O1C[C@H](C(OC)=O)OC1(C)C

화학적 성질

Colorless to light yellowliqui

안전 및 규제

GHS 분류	WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.
Hazard Classes and Categories	Flam. Liq. 4 (100%)
수질 위해 등급(WGK)	3
관세 코드	29329990
안전 문구(S)	23-24/25
F 고인화성물질	10-23
저장 분류	10 - Combustible liquids

용도

(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester is a dioxolane derivative used in the preparation of matrix metalloproteinases (MMP) inhibitors.