트라이메틸 오쏘아세트산

Trimethyl orthoacetate

HCID 15050CAS 1445-45-0
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기본 정보

표준 SMILES
COC(C)(OC)OC
InChIKey
HDPNBNXLBDFELL-UHFFFAOYSA-N
분자식
C5H12O3
평균 분자량
120.15 g/mol
단동위원소 질량
120.07864424

이름 및 식별자

우선 이름
Trimethyl orthoacetate
IUPAC
1,1,1-trimethoxyethane
현지명
트라이메틸 오쏘아세트산
영어명
Trimethyl orthoacetate
분자식
C5H12O3
분자량
120.15

이름 및 동의어

Trimethyl orthoacetate1,1,1-TRIMETHOXYETHANEEthane, 1,1,1-trimethoxy-CH3C(OCH3)3DTXSID8027400EINECS 215-892-9UNII-04H7A3FK37AI3-2433204H7A3FK37DTXCID507400RefChem:191754ETHANE,1,1,1-TRIMETHOXY ORTHOACETIC ACID,TRIMETHYL ESTER
이름 더 보기
트라이메틸오쏘아세트산트라이메틸 오쏘아세트산TMOAorthoacetateTrimethylorthoaceateTrimethylorthoacetattrimethyl-acetateTrimethyl o-acetate
HDPNBNXLBDFELL-UHFFFAOYSA-NInChI=1/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H1445-45-0Orthoacetic acid, trimethyl esterMethyl orthoacetateOrthoacetic Acid Trimethyl EsterMFCD000084771,1,1-trimethoxy-ethane

데이터베이스 식별자

CAS
1445-45-0
PubChem CID
15050
DTXSID
DTXSID8027400
ChEMBL
CHEMBL3188558
UNII
04H7A3FK37
EC Number
215-892-9
Nikkaji
J101.082D

물성

구조 계산 물성

XLogP
0.2
극성 표면적
27.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
8

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionCBI; Liquid

물리화학적 성질

끓는 점
107 · 107-109 °C(lit.)
밀도
0.944 g/mL · 0.944 g/mL at 25 °C(lit.)
증기압
20 hPa · 20 hPa (20 °C)
굴절률
20 · n20/D 1.388(lit.)
인화점
62 °F · 62 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

CLEAR COLOURLESS TO SLIGHTLY BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.5% (5 of 201) of reports.

Danger

H225 (97.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 201 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Ethane, 1,1,1-trimethoxy-

Ethane, 1,1,1-trimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,1-trimethoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25028

Trimethyl orthoacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (97.5%)

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
UN 3272 3/PG 2
독성
LD50 orally in Rabbit: > 2000 mg/kg
HS 번호
29159080
risk_code
11-43-38-36/37/38

화학 및 산업

용도 및 제조

U.S. Production2023: 700,000 - <850,000 lb
Consumer UsesIntermediate
Industry UsesSolvent
General Manufacturing Information · 2건

Pharmaceutical and Medicine Manufacturing

Ethane, 1,1,1-trimethoxy-: ACTIVE

응용 분야

용도Trimethyl orthoacetate has been used in the preparation of 2-amino-9-(3-acyloxymethyl-4-alkoxycarbonyloxybut-1-yl)purines and 2-amino-9-(3-alkoxycarbonyl-oxymethyl-4-alkoxycarbonyloxybut -1-yl)purines.

일반 설명Kinetics and mechanism of gas-phase elimination of trimethyl orthoacetate has been examined over the temperature range of 310-369°C and pressure range of 50-130Torr.

상·하류 제품 정보

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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