基本情報
- 標準SMILES
COC(OC)OC- InChIKey
PYOKUURKVVELLB-UHFFFAOYSA-N- 分子式
- C4H10O3
- 平均分子量
- 106.12 g/mol
- 単同位体質量
- 106.06299418
名称と識別子
- 優先名称
- Trimethyl orthoformate
- IUPAC
- trimethoxymethane
- 現地名
- オルトぎ酸トリメチル
- 英語名
- Trimethoxymethane
- 分子式
- C4H10O3
- 分子量
- 106.12
名称と別名
名称をさらに表示
データベース識別子
- CAS
149-73-5- PubChem CID
- 9005
- DTXSID
DTXSID7027122- ChEMBL
CHEMBL3187679- UNII
- XAM28819YJ
- EC Number
- 205-745-7
- Nikkaji
- J8.664I
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
- 7
- 形式電荷
- 0
- 複雑度
- 28.4
実験および物理化学的性質
Density
0.9676 @ 20 °C/4 °C
0.9676 @ 20°C
Boiling Point
100.6 °C @ 760 MM HG
100.6 °C @760 [mm Hg]
Physical Description
Liquid
Colorless liquid with a pungent odor; [HSDB]
物理化学的性質
- 融点
- -53 °C · -53 °C
- 沸点
- 101 · 101-102 °C(lit.)
- 比重(密度)
- 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
- 蒸気密度
- 3.67 · 3.67 (vs air)
- 蒸気圧
- 23.5 mm · 23.5 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.379(lit.)
- 闪点
- 60 °F · 60 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- エーテル、アルコール、ベンゼンと混和します。
- 外見
- 液体
- 色
- 無色透明
- 爆発限界(explosive limit)
- 1.4 · 1.4-44.6%(V)
- 水溶解度
- 10 g/L · 10g/L(加水分解)
- Merck
- 14 · 14,6884
- BRN
- 969215 · 969215
- Henry's Law Constant
- 6.9 · 6.9×10-1 mol/(m3Pa) at 25℃, Guthrie (1973)
- InChI
- 1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3
- InChIKey
- PYOKUURKVVELLB-UHFFFAOYSA-N
- SMILES
- COC(OC)OC
- LogP
- -0.03 · -0.03-0.09 at 20℃
- CAS データベース
- 149 · 149-73-5(CAS DataBase Reference)
- NISTの化学物質情報
- Methane, trimethoxy-(149-73-5)
- EPAの化学物質情報
- Trimethoxymethane (149-73-5)
化学的性質
化学的特性Colorless liquid. Slightly soluble in water, miscible with alcohol and oils.Very diffusive, ethereal, pungent or nauseating odor, pleasant in dilution, slightly wineyfruity, Brandy-like.Sweet taste in concentrations below 100 ppm. Barely perceptible at 10 ppm.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (2 of 294) of reports.
Danger
H225 (99.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 294 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: Methane, trimethoxy-
Methane, trimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methane, 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: 08-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12626
Trimethyl orthoformate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin, eye, and mucous membrane irritant; [HSDB] Findings in lethal dose animal experiments include cyanosis, loss of muscle tone, and unresponsiveness. [ToxPlanet: IUCLID] Hydrolyzed by water producing methanol; An irritant; [MSDSonline] See Methyl alcohol.
Hazard Classes and Categories
Flam. Liq. 2 (99.3%)
Flammable liquids - Category 2
安全と保護具
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
毒性情報
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RM6650000
- ridadr
- UN 3272 3/PG 2
- 毒性
- LD50 orally in Rabbit: 3130 mg/kg
- hs_code
- 29159080
- risk_code
- 11-36
- 化審法
- (2)-682, (9)-878
- 消防法
- 危-4-1-II
- hazard_code
- F,Xi
- safety_code
- 9-16-26-29
- hazard_class
- 3
- packing_group
- II
- 自然発火温度
- 255 °C
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
- 有毒物質データの
- 149-73-5(Hazardous Substances Data)
化学と産業
用途と製造
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Methane, trimethoxy-: ACTIVE
応用分野
用途医薬品、化粧品の製造原料、染料
説明Trimethyl orthoformate is an effective solvent for thallium(III) nitrate-mediated oxidations. It undergoes acid catalyzed reaction with 6-(N-D-ribitylanilino) uracils to form 8-demethyl-8-hydroxy-5-deazariboflavins.
使用Trimethyl Orthoformate is the most simple orthoester. Used in organic synthesis as a reagent for introducing a protecting group for aldehydes and in the creation of methoxymethylene groups and heterocyclic ring systems.
一般的な説明Trimethyl orthoformate is an effective solvent for thallium(III) nitrate-mediated oxidations. It undergoes acid catalyzed reaction with 6-(N-D-ribitylanilino) uracils to form 8-demethyl-8-hydroxy-5-deazariboflavins.
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