기본 정보
- CAS
638-11-9- 표준 SMILES
CCCC(=O)OC(C)C- InChIKey
FFOPEPMHKILNIT-UHFFFAOYSA-N- 분자식
- C7H14O2
- 평균 분자량
- 130.18 g/mol
- 단동위원소 질량
- 130.09937969
개요
Isopropyl butyrate appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used as a solvent and to make flavorings.
이름 및 식별자
- 우선 이름
- Isopropyl butyrate
- IUPAC
- propan-2-yl butanoate
- 현지명
- 부틸산이소프로필
- 영어명
- ISOPROPYL BUTYRATE
- 분자식
- C7H14O2
- 분자량
- 130.18
이름 및 동의어
Isopropyl butyrateIsopropyl butanoatepropan-2-yl butanoateButyric acid, isopropyl ester1-Methylethyl butanoateBUTANOIC ACID, 1-METHYLETHYL ESTERIsopropyl n-butyrate2-Propyl butanoaten-Butyric acid isopropyl esterFEMA No. 2935UNII-7P33GFV8SS7P33GFV8SS
이름 더 보기
부틸산이소프로필아이소프로필뷰티르산아이소프로필뷰티르산(ISOPROPYLBUTYRATE)BUTYRIC ACID ISOPROPYL ESTERPROPYL ISO, BUTANOATEButyric acid isopropyl
n-C3H7C(O)OCH(CH3)2Butanoic acid, 2-methylethyl esterEINECS 211-320-7WE(2:0(1Me)/4:0)butanoic acid isopropyl esterAI3-35952DTXSID5075288FEMA 2935
데이터베이스 식별자
- CAS
638-11-9- PubChem CID
- 61184
- DTXSID
DTXSID5075288- ChEBI
CHEBI:89718- UNII
- 7P33GFV8SS
- EC Number
- 211-320-7
- Nikkaji
- J47.188G
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
- 9
- 형식 전하
- 0
- 복잡도
- 86.9
실험 및 물리화학적 성질
Chemical ClassesFlammable agents - 3rd degree
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Isopropyl butyrate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.863-0.869 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in alcohol and oils
(in ethanol)
Boiling Point
130.00 to 131.00 °C. @ 760.00 mm Hg
129-131 °C
Refractive Index1.390-1.396
Physical Description
Isopropyl butyrate appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used as a solvent and to make flavorings.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning 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 204 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: Butanoic acid, 1-methylethyl ester
Isopropyl butyrate: 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 - Butanoic acid, 1-methylethyl ester: Environment tier I assessment
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
DOT ID and Guide2405 129
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
개요Isopropyl butyrate has a pleasant odor reminiscent of butyric acid. May be synthesized from butyric acid and propylene in presence of concentrated H2S04 at 125°C in sealed tube; also from butyric acid and isopropyl alcohol in the presence of HCL or p-toluenesulfonic acid.
출처Reported found in strawberry, cranberry, kumquat peel oil, apricot, papaya, blue cheeses, sparkling wine, passion fruit and spineless monkey orange
용도Isopropyl butyrate was used as intravaginal taggant in the study of "breath test" for vaginal gel use.
일반 설명A colorless liquid. Flash point near 30°F. Boiling point near 280°F. Less dense than water. Vapors heavier than air. Used as a solvent and to make flavorings.
제조 방법
From butyric acid and propylene in presence of concentrated H2SO4 at 125°C in sealed tube; also from butyric acid and isopropyl alcohol in the presence of HCl or p-toluenesulfonic acid
상·하류 제품 정보
상류 원료
하류 제품
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