オルト酢酸トリメチル

Trimethyl orthoacetate

HCID 15050CAS 1445-45-0
部分構造検索類似構造を探す

基本情報

標準SMILES
COC(C)(OC)OC
InChIKey
HDPNBNXLBDFELL-UHFFFAOYSA-N
分子式
C5H12O3
平均分子量
120.15 g/mol
単同位体質量
120.07864424

名称と識別子

優先名称
Trimethyl orthoacetate
IUPAC
1,1,1-trimethoxyethane
現地名
オルト酢酸トリメチル
英語名
Trimethyl orthoacetate
分子式
C5H12O3
分子量
120.15

名称と別名

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
名称をさらに表示
オルト酢酸トリメチルオルト酢酸メチル1,1,1-トリメトキシエタンメチルオルトぎ酸トリメチルオルソ酢酸メチルMOA１，１，１トリメトキシエタンオルソ酢酸メチルエステルオルト酢酸トリメチル, 98%TMOAorthoacetateTrimethylorthoaceateTrimethylorthoacetattrimethyl-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

データベース識別子

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

物性

構造計算による物性

XLogP
0.2
極性表面積
27.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
8

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionCBI; Liquid

物理化学的性質

沸点
107 · 107-109 °C(lit.)
比重(密度)
0.944 g/mL · 0.944 g/mL at 25 °C(lit.)
蒸気圧
20 hPa · 20 hPa (20 °C)
屈折率
20 · n20/D 1.388(lit.)
闪点
62 °F · 62 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性CLEAR COLOURLESS TO SLIGHTLY BROWN LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

安全データ

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

化学と産業

用途と製造

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

Pharmaceutical and Medicine Manufacturing

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

応用分野

使用Trimethyl 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.

一般的な説明Kinetics 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.

上流・下流製品情報

サプライヤー50 社

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]

関連反応

193 件
反応記録を作成

関連ノート

読み込み中…