기본 정보
- CAS
106-36-5- 표준 SMILES
CCCOC(=O)CC- InChIKey
MCSINKKTEDDPNK-UHFFFAOYSA-N- 분자식
- C6H12O2
- 평균 분자량
- 116.16 g/mol
- 단동위원소 질량
- 116.08372962
개요
Propyl propionate is a propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid. It has a role as a biomarker, a fungal metabolite, a human metabolite and a rat metabolite. It is functionally related to a propan-1-ol.
이름 및 식별자
- 우선 이름
- Propyl propionate
- IUPAC
- propyl propanoate
- 현지명
- n-프로필 n-프로파노에이트
- 영어명
- Propyl propionate
- 분자식
- C6H12O2
- 분자량
- 116.16
이름 및 동의어
PROPYL PROPIONATEPropyl propanoaten-Propyl propionatePropanoic acid, propyl estern-Propyl propanoatePropionic acid, propyl estern-Propyl n-propionatePropylester kyseliny propionoveFEMA No. 2958Propyl propionate (natural)Propionic acid n-propyl esterNSC 72022
이름 더 보기
n-프로필 n-프로파노에이트프로피온산 n-프로필프로피온산 프로필프로피온산, 프로필 에스터프로필 프로파노에이트프로필프로피오네이트FEMA 2958Propionoic aciPROPYLPROPANOATE1-propylpropanoatePropyl phenylacetatPropylPropionate>Propyl propionate 99%
Propyl ester of propanoic acidDTXSID4042337Propyl-propanoateUNII-G09TRV00GKEINECS 203-389-7G09TRV00GKPropylester kyseliny propionove [Czech]BRN 1699993
데이터베이스 식별자
- CAS
106-36-5
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 26.3 Ų
- 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
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Propyl propionate) -> IFRA transparency List
LogP1.71
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.873-0.879
Flavoring AgentsEU Flavoring substances
Solubility
5.3 mg/mL at 25 °C
miscible with alcohol, ether, propylene glycol; soluble 1 ml in 200 ml water
1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
122.00 to 124.00 °C. @ 760.00 mm Hg
122-124 °C
Melting Point-75.9 °C
Refractive Index1.391-1.396
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.6% (11 of 1970) of reports.
Warning
H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: Propanoic acid, propyl ester
Propanoic acid, propyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, propyl 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: Propyl propionate (EC: 203-389-7)
Propyl propionate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and Categories
Flam. Liq. 3 (99.2%)
Flammable liquid - category 3
Flam. Liq. 3
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UF7100000
- ridadr
- UN 3272 3/PG 2
- 독성
- mammal (species unspecified),LC50,inhalation,16900mg/m3 (16900mg/m3),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
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, propyl ester: ACTIVE
응용 분야
출처Reported found among the volatile constituents of grape var. white sauvignon. Also reported found in fresh apple, apple juice, apricot, melon, papaya, pear, Gruyere de Comte cheese, rum, cider, popcorn, durian, olive, malt whiskey and coffee.
용도Propyl propionate is a general reagent which can be used in various transesterification reactions. It is used as Solvent for nitrocellulose, paints, varnishes, lacquers, coating agents.
일반 설명Propyl propionate and water mixtures can be separated by pervaporation using PEBA membranes. The diffusivity of pure propyl propionate in the PEBA membrane is about 28 times higher than pure water diffusivity.
제조 방법
Propyl propionate was synthesized by esterification of propyl alcohol with the corresponding acid in the presence of concentrated H2SO4, or in the presence of BF3.
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