Methanol, 1,1-diethoxy-, 1-acetate

HCID 84166CAS 14036-06-7

기본 정보

표준 SMILES: CCOC(OCC)OC(C)=O
InChIKey: IRUNKQSGDBYUDC-UHFFFAOYSA-N
분자식: C7H14O4
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.08920893

이름 및 식별자

우선 이름: Methanol, 1,1-diethoxy-, 1-acetate
IUPAC: diethoxymethyl acetate
영어명: Diethoxymethyl acetate
분자식: C7H14O4
분자량: 162.18

이름 및 동의어

Diethoxymethyl acetate14036-06-7Methanol, 1,1-diethoxy-, 1-acetateDTXSID80884547RefChem:133359DTXCID601023982237-873-4DiethoxymethylacetateMethanol, diethoxy-, acetateMFCD00009229Acetic Acid Diethoxymethyl EsterDiethoxymethanol Acetate; NSC 158267; 1,1-Diethoxymethanol 1-Acetate

이름 더 보기

Diethoxymethyleacetatediethoxy-methanoacetateDiethyloxymethyl acetateMETHYL 2,2-DIETHOXYACETATEDiethoxymethyl Acetate >Diethoxymethyl acetate ,97%acetic acidimethoxymethyl ester

EINECS 237-873-4NSC 158267Diethoxymethyl acetate, 96%SCHEMBL662137QSPL 099SCHEMBL6437696NSC158267AKOS005173939

데이터베이스 식별자

CAS: 14036-06-7
PubChem CID: 84166
DTXSID: DTXSID80884547
EC Number: 237-873-4
Nikkaji: J81.708B

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 107

물리화학적 성질

끓는 점: 170 · 170-172 °C(Press: 743 Torr)
밀도: 0.993 g/mL · 0.993 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.399(lit.)
인화점: 82 °F · 82 °F
저장 조건: 2 · 2-8°C
용해도: sol most common organic solvents
물리적 상태: 액체
색상: 무색의
BRN: 1209886 · 1209886
InChI: 1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3
InChIKey: IRUNKQSGDBYUDC-UHFFFAOYSA-N
SMILES: CCOC(OCC)OC(C)=O
LogP: 1.92 · 1.920 (est)
NIST: Diethoxymethyl acetate(14036-06-7)
EPA: Methanol, diethoxy-, acetate (14036-06-7)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
HS 번호: 29153900
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36/37/39
포장분류: III
위험 등급: 3.2
F 고인화성물질: 9-21
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationMethanol, 1,1-diethoxy-, 1-acetate: ACTIVE

응용 분야

용도Diethoxymethyl acetate was used in the synthesis of D-mannosyl, D-galactosyl and D-glucosyl theophylline nucleosides.

일반 설명Diethoxymethyl acetate reacts with 5-amino-6-ribitylaminouracil hydrochloride to yield 6-dioxo-(1H,3H)-9-N-ribitylpurine.

제조 방법

Diethoxymethyl acetate can be best prepared from triethyl orthoformate and formic acid/acetic anhydride.

상·하류 제품 정보

상류 원료

하류 제품

2,8-Dichloropyrimido[5,4-d]pyrimidine 6-Methylpurine 3-Aminopyrazine-2-carbonitrile 4-클로로-1-H-이미다조[4,5-C]피리딘

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [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]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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