CAS 56539-66-3 Methoxymethylbutanol (HCID 62118)

名称と識別子

優先名称: Methoxymethylbutanol
IUPAC: 3-methoxy-3-methylbutan-1-ol
現地名: 3-メトキシ-3-メチルブタノール
英語名: 3-Methyl-3-methoxybutanol
分子式: C6H14O2
分子量: 118.17

名称と別名

3-Methoxy-3-methylbutan-1-ol56539-66-33-Methoxy-3-methyl-1-butanol3-Methyl-3-methoxybutanol3-Methoxy-3-methylbutanolMETHOXYMETHYLBUTANOL1-Butanol, 3-methoxy-3-methyl-Solfit S 1103-methyl-3-methoxy-1-butanol3-Methxoy-3-methylbutan-1-olDTXSID8044389EINECS 260-252-4

名称をさらに表示

3-メトキシ-3-メチルブタノール3-メチル-3-メトキシ-1-ブタノール3-メトキシ-3-メチル-1-ブタノールソルフィット3-メチル-3-メトキシ-1-ブタノ-ル3-メチル-3-メトキシブタノール３メチル３メトキシブタノルメトキシメチルブタノール3-メトキシ-3-メチル-1-ブタノ?ル3‐メチル‐3‐メトキシブタノール3-メトキシ-3-メチルブタン-1-オール3-メトキシ-3-メチル-1-ブタノール, 98+%MMB3-methoxy-3-methyl-1-butano3-Methoxyisobutanol3-Methyl-3-methoxybuMethyl methoxy butanol

EC 260-252-4366754K2K13-methyl-3-(methyloxy)butan-1-ol3-Methyl-3-methoxy-1-hydroxybutaneDTXCID6024389MFKRHJVUCZRDTF-UHFFFAOYSA-RefChem:811820METHOXYMETHYLBUTANOL [INCI]

データベース識別子

CAS: 56539-66-3
PubChem CID: 62118
DTXSID: DTXSID8044389
ChEMBL: CHEMBL3188023
UNII: 366754K2K1
EC Number: 260-252-4
Nikkaji: J38.165I

物性

構造計算による物性

XLogP: 0.4
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 59

実験および物理化学的性質

Physical DescriptionCBI; Liquid

Kovats Retention Index1434

物理化学的性質

融点: -50 °C · -50 °C
沸点: 173 · 173-175 °C(lit.)
比重(密度): 0.926 g/mL · 0.926 g/mL at 20 °C(lit.)
蒸気圧: 47 Pa · 47Pa at 20℃
屈折率: 20 · n20/D 1.428(lit.)
闪点: 160 °F · 160 °F
貯蔵温度: Store at room temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: 液体
酸解離定数(Pka): 15.19 · 15.19±0.10(Predicted)
色: 無色透明
臭い (Odor): ほぼ無臭
水溶解度: 水に溶ける。
BRN: 1732882 · 1732882
化粧品成分の機能: 溶媒
InChI: InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
InChIKey: MFKRHJVUCZRDTF-UHFFFAOYSA-N
SMILES: C(O)CC(OC)(C)C
LogP: 0.18 at · 0.18 at 25℃
CAS データベース: 56539 · 56539-66-3(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Butanol, 3-methoxy-3-methyl- (56539-66-3)

化学的性質

化学的特性clear colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2016) of reports.

Warning

H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 2016 reports by companies from 7 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2016 reports by companies.；There are 6 notifications provided by 2014 of 2016 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Butanol, 3-methoxy-3-methyl-

1-Butanol, 3-methoxy-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy-3-methyl- 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: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10042

1-Butanol, 3-methoxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1-Butanol, 3-methoxy-3-methyl-: Human health tier I assessment；IMAP assessments - 1-Butanol, 3-methoxy-3-methyl-: Environment tier I assessment

EPA Safer ChemicalChemical: 3-Methyl-3-methoxybutanol； Green half-circle - The chemical is expected to be of low concern based on experimental and modeled data. Additional data would strengthen EPA's confidence in the chemical's safer status.

Hazard Classes and Categories · 2 件

Eye Irrit. 2A (99.2%)

Flammable liquids - Category 4；Serious eye damage/eye irritation - Category 2A

法規制情報

Regulatory Information · 4 件

Chemical: 1-Butanol, 3-methoxy-3-methyl-

1-Butanol, 3-methoxy-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy-3-methyl- 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: 18-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10042

1-Butanol, 3-methoxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29094990
risk_code: 36
化審法: (2)-3079
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 23-24/25-36/37/39-26
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 1,000,000 - <2,500,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 700,000 - <850,000 lb

Consumer UsesFragrance；Not Known or Reasonably Ascertainable；Solvent

Industry UsesAbrasives；Fragrance；Cleaning agent；Not Known or Reasonably Ascertainable

Household ProductsInformation on 4 consumer products that contain Methoxymethylbutanol in the following categories is provided:；• Inside the Home

Use Classification · 4 件

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Fragrance Ingredients

Cosmetics -> Solvent

General Manufacturing Information · 2 件

Electrical Equipment, Appliance, and Component Manufacturing；Miscellaneous Manufacturing；Not Known or Reasonably Ascertainable；All Other Chemical Product and Preparation Manufacturing

1-Butanol, 3-methoxy-3-methyl-: ACTIVE

応用分野 · 4 件

用途塗料,インキ, シンナー,染料溶剤,洗浄剤,剥離剤,農薬原料,可塑剤原料

用途有機合成用試薬。

使用3-Methoxy-3-methyl-1-butanol is a solvent that compares favorably with its isomer ethylene glycol monobutyl ether. It is employed as raw material for the production of industrial detergents. It is also used as solvent for paints, inks, and fragrances.

一般的な説明3-Methoxy-3-methyl-1-butanol is widely used as solvent for paints, inks, and fragrances. Kinetics of the reaction of 3-methoxy-3-methyl-1-butanol with OH radicals using a relative rate method has been reported. It has been identified as oxidation products of dyes such as methyl yellow, methyl red and methyl orange.