Ethyl butyrate

식별자 및 물리적 특성

CAS No.	105-54-4
분자식	C6H12O2
평균 분자량	116.16 g/mol
단동위원소 질량	116.08372962 g/mol
SMILES	CCCC(=O)OCC
InChIKey	OBNCKNCVKJNDBV-UHFFFAOYSA-N
PubChem CID	7762
ChEMBL	CHEMBL44800
ChEBI	CHEBI:88764
EC No.	203-306-4
DTXSID	DTXSID6040111

화학 및 물리적 성질

XLogP	1.3
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	8
형식 전하	0
복잡도	68.9
물질 분류	Corrosives
지질	Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Solvents	Solvents -> Esters (<C12)
pH	Acid value: 1.0 (max)
SpringerMaterials Properties	Boiling point
향료	Fragrance Ingredient (Ethyl butyrate) -> IFRA transparency List
LogP(분배 계수)	1.71
냄새	Pineapple odor
맛	Sweet, pineapple tasteCan be tasted in water at a level of 0.450 ppm and at 0.015 ppm in milk
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.879 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8735 g/cu cm at 25 °CDensity of saturated air: 1.08 (Air = 1)0.870-0.8770.879 g/cm3
향미제	EU Flavoring substances
녹는점	-100.8 °C
끓는 점	120-121 °C

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.3% (6 of 2073) of reports.WarningH226 (99.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2073 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Butanoic acid, ethyl esterButanoic acid, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, ethyl 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)Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17594Butanoic acid, ethyl ester: HSNO Approval: HSR001146 Approved with controlsThe 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.)
기타 안전 정보	IMAP assessments - Butanoic acid, ethyl ester: Human health tier I assessment
운송 라벨(DOT)	Flammable Liquid
화재 위험	Behavior in Fire: Vapor is heavier than air and may travel to a source of ignition and flash back. Containers may explode in fire. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
화재 가능성	Flammable liquid when exposed to hear or flame... .
건강 유해성	Inhalation or ingestion causes headache, dizziness, nausea, vomiting, and narcosis. Contact with liquid irritates eyes. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin.
유해성 요약	Flammable liquidAn eye and mucous membrane irritantInhalation of high concentrations causes narcotic effects[Hawley] A skin, eye, nose, and throat irritant