2-エチルブチルアルデヒド

2-Ethylbutyraldehyde

HCID 7359CAS 97-96-1

基本情報

標準SMILES
CCC(C=O)CC
InChIKey
UNNGUFMVYQJGTD-UHFFFAOYSA-N
分子式
C6H12O
平均分子量
100.16 g/mol
単同位体質量
100.088815

概要

2-ethylbutyraldehyde appears as a clear colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air.

名称と識別子

優先名称
2-Ethylbutyraldehyde
IUPAC
2-ethylbutanal
現地名
2-エチルブチルアルデヒド
英語名
2-Ethylbutyraldehyde
分子式
C6H12O
分子量
100.16

名称と別名

2-Ethylbutanal2-ETHYLBUTYRALDEHYDE97-96-1Butanal, 2-ethyl-Diethylacetaldehyde3-Formylpentane2-Ethylbutyric aldehydeButyraldehyde, 2-ethyl-alpha-EthylbutanalEthyl butyraldehyde2-Ethylbutyric aledhydeDiethyl acetaldehyde
名称をさらに表示
2-エチルブチルアルデヒド2-エチルブタナールジエチルアセトアルデヒドエチルブチルアルデヒド2‐エチルブチルアルデヒドFEMA 24263-ethylpentanal(C2H5)2CHCHO2-ethyl-butanaα-Ethylbutanal2-ethylbutyral
Aldehyde 2-ethylbutyriqueEthylbutyraldehydealpha-EthylbutyraldehydeFEMA No. 2426NSC 6757DTXSID3049380Aldehyde 2-ethylbutyrique [French]EINECS 202-623-5

データベース識別子

CAS
97-96-1
PubChem CID
7359
DTXSID
DTXSID3049380
ChEMBL
CHEMBL273782
ChEBI
CHEBI:173345
UNII
676JY5569P
EC Number
202-623-5
Nikkaji
J35.112A

物性

構造計算による物性

XLogP
1.5
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
3
重原子数
7

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.808-0.814
Flavoring AgentsEU Flavoring substances
Solubility · 2 件

miscible with alcohol, ether; soluble in water 1 ml in 50 ml

(in ethanol)

物理化学的性質

融点
-89 °C · -89°C
沸点
117 °C · 117 °C(lit.)
比重(密度)
0.814 g/mL · 0.814 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.402(lit.)
FEMA
2426 · 2426 | 2-ETHYLBUTYRALDEHYDE
闪点
70 °F · 70 °F

化学的性質

化学的特性2-Ethylbutyraldehyde has a pungent odor.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (13.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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 1495 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Butanal, 2-ethyl-

Butanal, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanal, 2-ethyl- 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)

Butanal, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

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 Hazards · 2 件

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

DOT ID and Guide1178 130
Reactive GroupAldehydes

安全と保護具

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Isolation and Evacuation · 2 件

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Immediate precautionary measure

安全データ

wgk
1
tsca
TSCA listed
rtecs
ES2625000
ridadr
UN 1178
hs_code
29121900
risk_code
11-36/37/38

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

U.S. Production2022: <50,000 lb
Consumer UsesFragrance
Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationButanal, 2-ethyl-: ACTIVE
応用分野 · 4 件

用途有機合成原料。

天然物の起源Reported found in melon, French fried potato, wheaten bread, scallops, citrus fruits, white bread and maize.

使用2-Ethylbutyraldehyde has been used in the preparation of aldoximes using aqueous hydroxylamine.

一般的な説明A clear colorless liquid. Flash point 70°F. Less dense than water and insoluble in water. Vapors heavier than air.

サプライヤー50 社

山东玖玥生物科技有限公司15553333686
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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