基本情報
- CAS
625-16-1- 標準SMILES
CCC(C)(C)OC(C)=O- InChIKey
JCCIFDCPHCKATH-UHFFFAOYSA-N- 分子式
- C7H14O2
- 平均分子量
- 130.18 g/mol
- 単同位体質量
- 130.09937969
概要
Tert-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)
名称と識別子
- 優先名称
- 2-Methyl-2-butanol acetate
- IUPAC
- 2-methylbutan-2-yl acetate
- 現地名
- 酢酸tert-ペンチル
- 英語名
- T-PENTYL ACETATE
- 分子式
- C7H14O2
- 分子量
- 130.18
名称と別名
tert-Amyl acetate2-Butanol, 2-methyl-, acetate2-Methyl-2-butanol acetatetertAmyl acetatetertPentyl acetateRefChem:4751611,1Dimethylpropyl acetate2Butanol, 2methyl, acetate809-420-62-methylbutan-2-yl acetate625-16-1T-PENTYL ACETATE
名称をさらに表示
酢酸tert-ペンチル酢酸tert-アミル1,1-ジメチルプロピル=アセタートtert-アミル=アセタート2-メチル-2-ブタノールアセタート酢酸1,1-ジメチルプロピル酢酸T-ペンチル酢酸tert-ﾍﾟﾝﾁﾙ【酢酸tert-ｱﾐﾙ】TERT-AMYLACETATEtertiary amyl acetateCH3C(O)OC(CH3)2CH2CH31,1-DIMETHYLPROPYLACETATEAcetic acid tert-amyl ester
t-Pentylacetate1,1-Dimethylpropyl acetatetert-Pentyl Alcohol, acetatetert-Pentyl Acetateacetic acid tert-pentyl estert-amyl acetatetert-Amyl ethanoateSCHEMBL66104
データベース識別子
- CAS
625-16-1- PubChem CID
- 12238
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 105
実験および物理化学的性質
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesDensity
Density0.874 at 66.2 °F (USCG, 1999) - Less dense than water; will float
Flash Point
79 °F (est) (USCG, 1999)
79 °F
Boiling Point256.5 °F at 760 mmHg (USCG, 1999)
Melting Pointgreater than -148 °F (USCG, 1999)
Vapor Pressure12.1 [mmHg]
Physical Description
Tert-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)
Colorless to yellow liquid with a weak odor of bananas; [CAMEO]
Autoignition Temperature715 °F (USCG, 1999)
物理化学的性質
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationThe 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 emits acrid fumes.
Health Hazards
INHALATION AND INGESTION: Irritates the mucous membrane, depresses the central nervous system and is narcotic. Damage to kidney, liver, and lung can occur. Ingestion may irritate gastro-intestinal tract. EYES: Irritation. SKIN: Irritation. (USCG, 1999)
Hazards Summary
A skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; May cause damage to liver, kidneys, and lungs; [CAMEO] The pentyl acetates are sensory irritants in the work environment. At higher levels in animal experiments, they cause narcosis, hepatotoxicity, and developmental toxicity. [ACGIH]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile
化学と産業
応用分野
用途溶剤、香料原料。
一般的な説明Colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor.
調製方法
Producted from Dimethyl ethyl carbinol by esterification with acetic acid under azeotropic conditions, or with Acetic anhydride.
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関連反応
3 件
化合物ノート
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