基本情報
- CAS
2983-38-2- 標準SMILES
CCOC(=O)C(CC)CC- InChIKey
MJGSLNIPTRPYJV-UHFFFAOYSA-N- 分子式
- C8H16O2
- 平均分子量
- 144.21 g/mol
- 単同位体質量
- 144.11502975
名称と識別子
- 優先名称
- Ethyl 2-ethylbutyrate
- IUPAC
- ethyl 2-ethylbutanoate
- 現地名
- 2-エチル酪酸エチル
- 英語名
- 2-Ethyl-n-butyric acid ethyl ester
- 分子式
- C8H16O2
- 分子量
- 144.21
名称と別名
Ethyl 2-ethylbutanoateEthyl 2-ethylbutyrate2-Ethyl-n-butyric acid ethyl esterButanoic acid, 2-ethyl-, ethyl ester2-Ethylbutyric Acid Ethyl EsterUNII-9ZB2G5FF449ZB2G5FF44EINECS 221-044-9AI3-24766FEMA NO. 4344MJGSLNIPTRPYJV-UHFFFAOYSA-DTXSID00183963
名称をさらに表示
2-エチル酪酸エチルエチル2-エチルブチラート2-エチルブタン酸エチルエチル 2－エチルブチレ-ト2-エチル-N-酪酸エチルエステルエチル 2-エチルブタノアートEtzadroxilRARECHEM AL BI 0134thyl 2-EthylbutyrateEthyl2-Ethylbutyrate>2-ethyl-butanoicaciethylester2-Ethylbutanoic acid ethyl ester
ETHYL .ALPHA.-ETHYLBUTYRATEETHYL 2-ETHYLBUTYRATE [FHFI]BUTYRIC ACID, 2-ETHYL-, ETHYL ESTERBUTYRIC ACID, .ALPHA.-ETHYL-, ETHYL ESTERRefChem:138602ETHYL ALPHA-ETHYLBUTYRATEDTXCID40106454BUTYRIC ACID, ALPHA-ETHYL-, ETHYL ESTER
データベース識別子
- CAS
2983-38-2- PubChem CID
- 76326
- DTXSID
DTXSID00183963- ChEBI
CHEBI:179937- UNII
- 9ZB2G5FF44
- EC Number
- 221-044-9
- Nikkaji
- J150.171B
物性
構造計算による物性
- XLogP
- 2.2
- 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
実験および物理化学的性質
Density0.865 - 0.871
Solubility
Practically insoluble or insoluble
Insoluble (in ethanol)
Boiling Point
156.00 to 157.00 °C. @ 760.00 mm Hg
132-133 °CC
Refractive Index1.401 - 1.407
Physical DescriptionClear to pale yellow liquid / Fruity tropical aroma
Kovats Retention Index914；914；914；914
物理化学的性質
- 融点
- 149 · 149-152°C
- 沸点
- 152 °C · 152°C
- 比重(密度)
- 0 · 0,87 g/cm3
- 屈折率
- 1.403 to · 1.4030 to 1.4050
- FEMA
- 4344 · 4344 | ETHYL 2-ETHYLBUTYRATE
- 闪点
- 39 °C · 39°C
- 貯蔵温度
- 2 · Storage temp. 2-8°C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
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]；H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Chemical: Butanoic acid, 2-ethyl-, ethyl ester
Butanoic acid, 2-ethyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (14.3%)；Eye Irrit. 2A (14.3%)；STOT SE 3 (14.3%)
法規制情報
Regulatory Information
Chemical: Butanoic acid, 2-ethyl-, ethyl ester
Butanoic acid, 2-ethyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
化学と産業
薬理情報
Cellular LocationsExtracellular；Membrane
用途と製造
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
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