基本情報
- CAS
4435-53-4- 標準SMILES
COC(C)CCOC(C)=O- InChIKey
QMYGFTJCQFEDST-UHFFFAOYSA-N- 分子式
- C7H14O3
- 平均分子量
- 146.18 g/mol
- 単同位体質量
- 146.0942943
概要
Butoxyl appears as a liquid with an acrid odor. Flash point near 140 °F. Slightly less dense than water. Vapors much heavier than air. May irritate skin, eyes, and mucous membranes.
名称と識別子
- 優先名称
- 3-Methoxybutyl acetate
- IUPAC
- 3-methoxybutyl acetate
- 現地名
- 酢酸3-メトキシブチル
- 英語名
- 3-Methoxybutyl acetate
- 分子式
- C7H14O3
- 分子量
- 146.18
名称と別名
3-METHOXYBUTYL ACETATE4435-53-4ButoxylAcetic Acid 3-Methoxybutyl Ester1-Butanol, 3-methoxy-, acetate3-Methoxy-1-butyl acetateAcetic acid, 3-methoxybutyl esterMethyl-1,3-butylene glycol acetate3-methoxy-n-butyl acetate2W0NXC23XWNSC-15638DTXSID2052106
名称をさらに表示
酢酸3-メトキシブチルブトキシル3-メトキシブチル=アセタート3-メトキシブチルアセテート3-メトキシ-1-アセトキシブタン酢酸３メトキシブチル3-メトキシ-n-ブチル＝アセテート3-メトキシブチル アセタートMethoxybutyMethoxybutyl Este5-methoxyhexanoatemethoxybutyl acetate3-Methoxy-n-butylacetat3-methoxybutyl ethanoate3-methoxy-1-butanoacetate
RefChem:571618DTXCID4030673224-644-93-Methoxybutyl Ester1-Butanol, 3-methoxy-, 1-acetate3-Methoxybutylester kyseliny octoveMFCD00043928EINECS 224-644-9
データベース識別子
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 35.5 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
- 5
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 101
実験および物理化学的性質
Chemical ClassesFlammable agents - 2nd degree
Density0.96 (USCG, 1999) - Less dense than water; will float
Flash Point170 °F (USCG, 1999)
Boiling Point275 °F at 760 mmHg (USCG, 1999)
Physical DescriptionButoxyl appears as a liquid with an acrid odor. Flash point near 140 °F. Slightly less dense than water. Vapors much heavier than air. May irritate skin, eyes, and mucous membranes.
物理化学的性質
- 沸点
- 172 °C · 172 °C
- 比重(密度)
- 0 · 0,96 g/cm3
- 屈折率
- 1.407 · 1.4070-1.4090
- 闪点
- 62 °C · 62°C
- 外見
- clear liquid
- 色
- Colorless
- 水溶解度
- 60.68 g/L · 60.68g/L(20℃)
- InChI
- InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3
- InChIKey
- QMYGFTJCQFEDST-UHFFFAOYSA-N
- SMILES
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 59.2% (355 of 600) of all reports.
Warning
H336 (35.3%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 600 reports by companies from 7 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1-Butanol, 3-methoxy-, acetate
1-Butanol, 3-methoxy-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy-, 1-acetate 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)
REACH registered substance: 3-methoxybutyl acetate (EC: 224-644-9)
1-Butanol, 3-methoxy-, acetate: HSNO Approval: HSR001077 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: When heated to decomposition, emits acrid smoke and irritating fumes. (USCG, 1999)
Health HazardsCauses eye and skin irritation. Mildly toxic by ingestion. (USCG, 1999)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EPA Safer ChemicalChemical: 3-Methoxybutyl acetate
化学と産業
用途と製造
U.S. Production2022: 2,181 lb
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
General Manufacturing Information1-Butanol, 3-methoxy-, 1-acetate: ACTIVE
応用分野
一般的な説明A liquid with an acrid odor. Flash point near 140°F. Slightly less dense than water. Vapors much heavier than air. May irritate skin, eyes, and mucous membranes.
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