기본 정보
- CAS
3639-21-2- 표준 SMILES
CCC(O)(CC)C(=O)O- InChIKey
LXVSANCQXSSLPA-UHFFFAOYSA-N- 분자식
- C6H12O3
- 평균 분자량
- 132.16 g/mol
- 단동위원소 질량
- 132.07864424
이름 및 식별자
- 우선 이름
- 2-Ethyl-2-hydroxybutanoic acid
- IUPAC
- 2-ethyl-2-hydroxybutanoic acid
- 영어명
- 2-Ethyl-2-hydroxybutyric acid
- 분자식
- C6H12O3
- 분자량
- 132.16
이름 및 동의어
2-Ethyl-2-hydroxybutanoic acid2-Ethyl-2-hydroxybutyric acid3639-21-2DTXSID90189914RefChem:4717622-Et-2-HBADTXCID50112405222-867-62-Ethyl-2-hydroxy-butyric acid2-ethyl-2-hydroxy-butanoic acidCHEBI:165404Butanoic acid, 2-ethyl-2-hydroxy-
이름 더 보기
Diethoxalic acid2,2-DIETHYLGLYCOLIC ACID2-ethyl-2-hydroxybutanoicaci2-Hydroxy-2-ethylbutanoic acid2-ETHYL-2-HYDROXYBUTYRICACID,99%2-ETHYL-2-HYDROXYBUTYRIC ACID 99%2-Ethyl-2-hydroxybutyric acid 99%
EINECS 222-867-6MFCD000041832-Ethyl-2-Hydroxybutyrate2-ethyl-2-hydroxybutanoate2-Ethyl-2-hydroxybutanoicacidSCHEMBL283370orb30270762-Ethyl-2-hydroxybutanoic acid #
데이터베이스 식별자
- CAS
3639-21-2- PubChem CID
- 77199
- DTXSID
DTXSID90189914- ChEBI
CHEBI:165404- EC Number
- 222-867-6
- Nikkaji
- J1.825B
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 105
실험 및 물리화학적 성질
Solubility26 mg/mL at 18 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 79 · 79-82 °C (lit.)
- 끓는 점
- 277.83 °C · 277.83°C (rough estimate)
- 밀도
- 1.016 · 1.0160 (rough estimate)
- 굴절률
- 1.4691 · 1.4691 (estimate)
- 산도 계수 (pKa)
- 4.05 · 4.05±0.15(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChI
- 1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
- InChIKey
- LXVSANCQXSSLPA-UHFFFAOYSA-N
- SMILES
- CCC(O)(CC)C(O)=O
화학적 성질
white crystalline powder or needles
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsExtracellular；Membrane
응용 분야
용도2-Ethyl-2-hydroxybutyric acid was used as internal standard during quantification of medium-chain-length bacterial poly(3-hydroxyalkanoate) by gas chromatography. It was used as ligand to study the effect of anionic and cationic surfactants on kinetics of electron transfer reaction from organic sulfides to [CrV(ehba)2]- (ehba=2-ethyl-2-hydroxy butyric acid).
일반 설명2-Ethyl-2-hydroxybutyric acid forms 99mTc complexes.
공급사28 곳
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司
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