基本情報
- CAS
10031-87-5- 標準SMILES
CCC(CC)COC(C)=O- InChIKey
HQLKZWRSOHTERR-UHFFFAOYSA-N- 分子式
- C8H16O2
- 平均分子量
- 144.21 g/mol
- 単同位体質量
- 144.11502975
概要
2-ethylbutyl acetate appears as a clear colorless liquid. Denser than water and insoluble in water. Vapors heavier than air.
名称と識別子
- 優先名称
- 2-Ethylbutyl acetate
- IUPAC
- 2-ethylbutyl acetate
- 現地名
- 酢酸2-エチルブチル
- 英語名
- 2-Ethylbutyl acetate
- 分子式
- C8H16O2
- 分子量
- 144.21
名称と別名
2-Ethylbutyl acetateAcetic acid, 2-ethylbutyl ester2-ethyl butyl acetatebeta-Ethylbutyl acetateUNII-R7S9T22253HQLKZWRSOHTERR-UHFFFAOYSA-EINECS 233-095-4R7S9T22253DTXSID50649162-ETHYL BUTYL ACETATE [FHFI]RefChem:86949DTXCID6032516
名称をさらに表示
酢酸2-エチルブチル2-エチルブチル=アセタート2-エチルブチルアセテートFEMA 24252-EthylbutylAcetate>2-ETHYLBUTYL ACETATE 98+%Acetic acid ethylbutyl ester2-Ethylbutyl Acetate, ≥ 98.0%2-Ethylbutyl acetate USP/EP/BP
233-095-4CAPROIC ACID ETHYL ESTERETHYL BUTYL ACETATEETHYLBUTYL ACETATEHQLKZWRSOHTERR-UHFFFAOYSA-NInChI=1/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H310031-87-5Acetic Acid 2-Ethylbutyl Ester
データベース識別子
- CAS
10031-87-5- PubChem CID
- 61448
- DTXSID
DTXSID5064916- ChEBI
CHEBI:179948- UNII
- R7S9T22253
物性
構造計算による物性
- XLogP
- 2.6
- 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
- 5
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 95.4
実験および物理化学的性質
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (2-Ethylbutyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.8784 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
6.4 mg/mL at 20 °C
(in ethanol)
Flash Point130 °F (NFPA, 2010)
Boiling Point
161.00 to 163.00 °C. @ 740.00 mm Hg
160-163 °C
Melting Point< -100 °C
Refractive Index1.4109
Physical Description
2-ethylbutyl acetate appears as a clear colorless liquid. Denser than water and insoluble in water. Vapors heavier than air.
Liquid
liquid
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 47 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Acetic acid, 2-ethylbutyl ester
Acetic acid, 2-ethylbutyl ester: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
DOT ID and Guide1177 130
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile
2-ETHYLBUTYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationAcetic acid, 2-ethylbutyl ester: ACTIVE
応用分野
使用Solvent for nitrocellulose lacquers, flavoring.2-Ethylbutyl acetate is comparatively stable against hydrolysis, and finds therefore some use in soap Perfumery to lend fruity notes and lift to the ponion of the composition. It blends well with aldehydic and rosy fragrance types, and supports Geranium, Lavender or minty notes excellently.Traces of the ester arc occasionally used in flavor compositions for fruit complexes, etc. Usually about 5 to 8 ppm in the finished product.
一般的な説明A clear colorless liquid. Flash point 130°F. Denser than water and insoluble in water. Vapors heavier than air.
調製方法
製造方法By reacting 2-ethylbutanol with acetic anhydride or acetic acid in the presence of sulfuric acid.
上流・下流製品情報
上流原料
サプライヤー43 社
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