기본 정보
- CAS
24915-95-5- 표준 SMILES
CCOC(=O)C[C@@H](C)O- InChIKey
OMSUIQOIVADKIM-RXMQYKEDSA-N- 분자식
- C6H12O3
- 평균 분자량
- 132.16 g/mol
- 단동위원소 질량
- 132.07864424
개요
Ethyl (R)-3-hydroxybutanoate is an ethyl 3-hydroxybutyrate. It is functionally related to a (R)-3-hydroxybutyric acid.
이름 및 식별자
- 우선 이름
- ethyl (3R)-3-hydroxybutanoate
- IUPAC
- ethyl (3R)-3-hydroxybutanoate
- 현지명
- 에틸(R)-3-하이드록시부티레이트
- 영어명
- Ethyl (R)-3-hydroxybutyrate
- 분자식
- C6H12O3
- 분자량
- 132.16
이름 및 동의어
ethyl (3R)-3-hydroxybutanoateRefChem:593095695-003-2Ethyl (R)-3-hydroxybutyrate24915-95-5Ethyl (R)-3-hydroxybutanoateEthyl (R)-(-)-3-hydroxybutyrate(R)-ETHYL 3-HYDROXYBUTANOATEMFCD00075386(R)-(-)-3-Hydroxybutyric Acid Ethyl Esterethyl (3R)-3-hydroxybutyrateCS-D1461
이름 더 보기
에틸(R)-3-하이드록시부티레이트(R)-(-)-ETHYL 3-HYDROXYBUTANOATEgrape butyrate(R)-grape butyrate2-ethyl-3-hydroxybutanoateETHYL (R)-3-HYDROXYBUTYLATEETHYL R-(-)-3-HYDROXYBUTANOATE(R)-(-)-Ethyl 3-Hydrobutyrate
(R)-3-Hydroxybutyric acid ethyl ester(R)-Ethyl 3-hydroxybutyrate?Ethyl (R)-3-hydroxybutyrateButanoic acid, 3-hydroxy-, ethyl ester, (3R)-(R)-(-)-3-HYDROXY-N-BUTYRIC ACID ETHYL ESTERethyl (R)-3-oxobutanoateEthyl(R)-3-hydroxybutyrate(R)-Ethyl 3-hydroxybutyrat
데이터베이스 식별자
- CAS
24915-95-5
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 90.3
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
물리화학적 성질
- 끓는 점
- 75 · 75-76 °C/12 mmHg (lit.)
- 밀도
- 1.017 g/mL · 1.017 g/mL at 25 °C (lit.)
- 증기압
- 17.2 Pa · 17.2Pa at 20℃
- 굴절률
- 20 · n20/D 1.42(lit.)
- 인화점
- 148 °F · 148 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 14.45 · 14.45±0.20(Predicted)
- 색상
- 투명, 무색
- Specific Gravity
- 1.017 · 1.017
- 수용성
- 녹는
- InChI
- 1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m1/s1
- InChIKey
- OMSUIQOIVADKIM-RXMQYKEDSA-N
- SMILES
- CCOC(=O)C[C@@H](C)O
- LogP
- 0.341 at · 0.341 at 20℃
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H227 (50%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: No longer Valid Update: 13-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27182
Hazard Classes and CategoriesFlam. Liq. 4 (50%)
안전 데이터
- wgk
- 3
- ridadr
- 1993
- HS 번호
- 29181990
- risk_code
- 36/37/38-52
- safety_code
- 24/25
- 위험 등급
- CBL
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요Ethyl (R)-(-)-3-Hydroxybutyrate is a chiral starting material for the production of numerous biologically active compounds.
용도Ethyl (R)-(-)-3-hydroxybutyrate is a chiral building block for the preparation of bioactive compounds used in the pharmaceutical industry. It is formed during the hydrolysis of poly-3-hydroxybutyrate.
일반 설명Ethyl (R)-3-hydroxybutyrate is an enantiomer of 3-hydroxybutyric acid. It is synthesized from diethyl succinate in a one-pot, stereoselective, high-yield process by using asymmetric synthesis and hydrogenation. The reaction vessel used for this synthesis is a reaction solution that has been optimized to be resistant to high pressure and temperature. This product can be used as a renewable feedstock in the production of polyesters and other polymers.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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