基本情報
- CAS
105-66-8- 標準SMILES
CCCOC(=O)CCC- InChIKey
HUAZGNHGCJGYNP-UHFFFAOYSA-N- 分子式
- C7H14O2
- 平均分子量
- 130.18 g/mol
- 単同位体質量
- 130.09937969
名称と識別子
- 優先名称
- Propyl butyrate
- IUPAC
- propyl butanoate
- 英語名
- Propyl n-butyrate
- 分子式
- C7H14O2
- 分子量
- 130.18486
名称と別名
Propyl butyratePropyl butanoateButanoic acid, propyl esterPropyl n-butyraten-Propyl-n-butanoate1-Propyl butyrateButyric acid, propyl estern-Propyl n-butyraten-Propyl butyraten-Propanol butyraten-Butyric acid n-propyl esterFEMA No. 2934
名称をさらに表示
Propyl butyrate (natural)Propylester kyseliny maselnePropyl ester of butanoic acidn-propyl butanoateEINECS 203-320-0Propylester kyseliny maselne [Czech]UNII-CW590750SQBRN 1745552
データベース識別子
- CAS
105-66-8- PubChem CID
- 7770
- DTXSID
DTXSID6059318- ChEBI
CHEBI:89719- UNII
- CW590750SQ
- EC Number
- 203-320-0
- Nikkaji
- J3.236K
物性
構造計算による物性
- XLogP
- 1.8
- 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
Density0.866 - 0.875
Solubility
1.62 mg/mL at 17 °C
miscible with alcohol, ether; slightly soluble in water
(in ethanol)
Boiling Point
142.00 to 143.00 °C. @ 760.00 mm Hg
140-145 °C
Melting Point-95.2 °C
Vapor Pressure5.95 [mmHg]
Refractive Index1.395-1.405
Physical Description
Clear colorless liquid; [Aldrich MSDS]
Liquid
colourless liquid with a pineapple, apricot odour
Kovats Retention Index
865；880；881.5；879；885；885；886；885；885；880；892；885；888；896；880；880；885；875；875；878
896；916；895；897；896；898；895；903；900；896；900；899；898；899；873；881；900；891；896；896
1123；1133；1126；1153；1156；1116；1117；1098；1110；1120；1135；1110；1110；1137；1123；1133；1127；1107；1120.1；1136
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 1502 reports by companies from 7 notifications to the ECHA C&L Inventory.；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, propyl ester
Butanoic acid, propyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Butanoic acid, propyl ester: Human health tier I assessment；IMAP assessments - Butanoic acid, propyl ester: Environment tier I assessment
Hazards Summary
Safe when used as a flavoring agent in food; [JECFA] An irritant that causes narcosis at high concentrations; [Hawley] Causes somnolence, diarrhea, and coma in oral lethal-dose studies of rats (15,000 mg/kg); [RTECS] Flammable; An irritant; [Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
法規制情報
化学と産業
薬理情報
Cellular LocationsCytoplasm；Extracellular；Membrane
用途と製造
UsesUsed as flavoring agent or adjuvant; [ExPub: FDA] Used in solvents for cellulose ethers; [Hawley]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationButanoic acid, propyl ester: ACTIVE
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
武汉零加一化工有限公司15972036926 15972036926 · [email protected]
武汉吉业升化工有限公司027-83360216 18040558719 · [email protected]
関連反応
3 件
化合物ノート
読み込み中…