基本情報
- CAS
590-01-2- 標準SMILES
CCCCOC(=O)CC- InChIKey
BTMVHUNTONAYDX-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
N-butyl proprionate appears as a water-white liquid with an apple-like odor. Less dense than water. Flash point 90 °F. May irritate skin and eyes. Used to make perfumes and flavorings.
名称と識別子
- 優先名称
- Butyl propionate
- IUPAC
- butyl propanoate
- 英語名
- Butyl propanoate
- 分子式
- C7H14O2
- 分子量
- 130.18486
名称と別名
Butyl propionate590-01-2Butyl propanoateN-BUTYL PROPIONATEPropanoic acid, butyl esterPropionic Acid Butyl EsterButyl propionate (natural)n-Butyl n-propionateDTXSID5027223n-butylpropionateUNII-2NXC4AK99EEINECS 209-669-5
名称をさらに表示
UN1914Butyl ester of propanoic acidBRN 1700932AI3-24352NSC-8449DTXCID907223BUTYL PROPIONATE [FHFI]N-BUTYL PROPIONATE [MI]
データベース識別子
- CAS
590-01-2- PubChem CID
- 11529
- DTXSID
DTXSID5027223- ChEMBL
CHEMBL3561586- ChEBI
CHEBI:89831- UNII
- 2NXC4AK99E
- EC Number
- 209-669-5
- Nikkaji
- J45.634I
物性
構造計算による物性
- XLogP
- 2.1
- 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
- 9
- 形式電荷
- 0
- 複雑度
- 79
実験および物理化学的性質
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Butyl propionate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.8754 (USCG, 1999) - Less dense than water; will float
Relative density (water = 1): 0.9
0.868-0.8825
0.893 @ 0°C
Flavoring AgentsEU Flavoring substances
Solubility
1.5 mg/mL at 20 °C
Solubility in water: poor
miscible with alcohol, ether; slightly soluble in water
(in ethanol)
Flash Point
101 °F (USCG, 1999)
32 °C
Boiling Point
296.2 °F at 760 mmHg (USCG, 1999)
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: 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)
This chemical does not meet GHS hazard criteria for 0.5% (11 of 2081) of reports.
Warning
H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: Propanoic acid, butyl ester
Propanoic acid, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, butyl ester 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: Butyl propionate (EC: 209-669-5)
Propanoic acid, butyl ester: 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.)
Other Safety InformationIMAP assessments - Propanoic acid, butyl ester: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards
Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire. (USCG, 1999)
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Flammable. Above 32 °C explosive vapour/air mixtures may be formed.
Health Hazards
Contact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation. (USCG, 1999)
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Uses
Used to make perfumes and flavorings; [CAMEO] Naturally occurring in fruits; Used for high solid coatings in automotive finishes, appliance coatings, enamels, lacquers, and printing inks, as a solvent for adhesives and nitrocellulose, and in polymerization reactions for acrylic resins; [EPA ChAMP: Submission] Used as a flavoring agent; [FDA]
Painting (Solvents) [Category: Paint]
U.S. Production2023: 5,500,000 - <7,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesSolvent
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanoic acid, butyl ester: ACTIVE
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