Methyl 3,3-dimethoxypropionate

HCID 81924CAS 7424-91-1

기본 정보

표준 SMILES: COC(=O)CC(OC)OC
InChIKey: SMCVPMKCDDNUCQ-UHFFFAOYSA-N
분자식: C6H12O4
평균 분자량: 148.16 g/mol
단동위원소 질량: 148.07355886

이름 및 식별자

우선 이름: Methyl 3,3-dimethoxypropionate
IUPAC: methyl 3,3-dimethoxypropanoate
영어명: METHYL 3,3-DIMETHOXYPROPIONATE
분자식: C6H12O4
분자량: 148.16

이름 및 동의어

Methyl 3,3-dimethoxypropionate7424-91-1EINECS 231-055-0NSC 92715DTXSID40225230RefChem:814633DTXCID40147721231-055-0Methyl 3,3-dimethoxypropanoateC6H12O43,3-Dimethoxypropionic Acid Methyl EsterMFCD00010650

이름 더 보기

DMPM3,3-DIMETHOXYPROPIONATETHYL 3,3-DIMETHOXYPROPIONATEMethyl ,-DimethoxypropionateMthyl 3,3-dimethoxypropionateMethy 3,3-dimethoxypropionateMethyl β,β-DimethoxypropionateMethyl3,3-Dimethoxypropionate>

Propanoic acid, 3,3-dimethoxy-, methyl ester3,3-dimethoxy-propionic acid methyl esterMethyl beta,beta-DimethoxypropionateAKOS005146330CS-W018190HY-W017474D1858Methyl b,b-Dimethoxypropionate

데이터베이스 식별자

CAS: 7424-91-1
PubChem CID: 81924
DTXSID: DTXSID40225230
EC Number: 231-055-0
Nikkaji: J25.586F

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 97.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 77 °C/20 · 77 °C/20 mmHg (lit.)
밀도: 1.045 g/mL · 1.045 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.41(lit.)
인화점: 150 °F · 150 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
색상: 무색의
BRN: 1561517 · 1561517
InChI: InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3
InChIKey: SMCVPMKCDDNUCQ-UHFFFAOYSA-N
SMILES: C(OC)(=O)CC(OC)OC

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H227 (28.6%): 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)

Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (28.6%)

안전 데이터

wgk: 3
HS 번호: 29189900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Methyl β,β-Dimethoxypropionate is used as a reactant in the preparation of tetrahydro-β-carboline derivatives as antitumor growth and metastasis agents.

일반 설명Methyl 3,3-dimethoxypropionate was used in the synthesis of 3-indolyl α,β-unsaturated carbonyl compounds.

상·하류 제품 정보

상류 원료

말론산 디메틸 1,4-Cyclohexadiene, (1E,4Z)-2-Pentene, 1,1,5,5-tetramethoxy-1,1,2,2-테트라메톡시에탄 디메톡시아세트산메틸에스테르 트리메틸 1,3,5-벤젠트리카복실레이트 메틸알콜 acrylic acid methyl ester

하류 제품

메틸2-포르밀-3-옥소-프로피오네이트 3-퀴놀린카르복실산,6-브로모-,메틸에스테르 Cyclopropanol, 1-(2,2-dimethoxyethyl)-3-푸란카르복실산,5-메틸-,메틸에스테르(9CI)

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [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]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

泰安环宇化工有限公司13176825516; 13176825516

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