기본 정보
- CAS
306-23-0- 표준 SMILES
O=C(O)C(O)Cc1ccc(O)cc1- InChIKey
JVGVDSSUAVXRDY-UHFFFAOYSA-N- 분자식
- C9H10O4
- 평균 분자량
- 182.17 g/mol
- 단동위원소 질량
- 182.0579088
개요
3-(4-hydroxyphenyl)lactic acid is a 2-hydroxy carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a bacterial metabolite and a human metabolite. It is a member of phenols and a 2-hydroxy carboxylic acid. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-(4-hydroxyphenyl)lactate.
이름 및 식별자
- 우선 이름
- (+-)-3-(4-Hydroxyphenyl)lactic acid
- IUPAC
- 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
- 현지명
- 3-(4-하이드록시페닐)락테이트
- 영어명
- 3-(4-Hydroxyphenyl)lactate
- 분자식
- C9H10O4
- 분자량
- 182.17
이름 및 동의어
306-23-03-(4-Hydroxyphenyl)lactic acidHPLA4-Hydroxyphenyllactic acidLactic acid, (p-hydroxyphenyl)-2-Hydroxy-3-(p-hydroxyphenyl)propionic acidbeta-(p-Hydroxyphenyl)lactic acidbeta-(4-Hydroxyphenyl)lactic acidLactic acid, 3-(p-hydroxyphenyl)-alpha,4-Dihydroxybenzenepropanoic acidEP7PS9S776Benzenepropanoic acid, alpha,4-dihydroxy-
이름 더 보기
3-(4-하이드록시페닐)락테이트Lactic acid impurity 1204-hydroxyphenyllacticacid3-(4-HYDROXYPHENYL)LACTATEPARA-HYDROXYPHENYLLACTICACID2-Hydroxy-3-(4-hydroxyphenyl)3-(4-hydroxyphenyl)lacticacid3-(p-hydroxyphenyl)-lacticaci
CHEBI:17385(+-)-3-(4-Hydroxyphenyl)lactic acidRefChem:390667para-hydroxyphenyllactic acid2-Hydroxy-3-(4-hydroxyphenyl)propanoic acidHydroxyphenyllactic aciddl-p-Hydroxyphenyllactic acidDL-4-Hydroxyphenyllactic Acid
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 172
실험 및 물리화학적 성질
Solubility12.9 mg/mL at 16 °C
Physical DescriptionSolid
Collision Cross Section
144.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
139.4 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
144 Ų [M+Na]+
물리화학적 성질
- 녹는점
- 140 °C · 140 °C(Solv: water (7732-18-5))
- 끓는 점
- 275.56 °C · 275.56°C (rough estimate)
- 밀도
- 1.2481 · 1.2481 (rough estimate)
- 굴절률
- 1.4345 · 1.4345 (estimate)
- 저장 조건
- 4 °C, · 4°C, away from moisture and light
- 용해도
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 25 mg/ml; Ethanol: 25 mg/ml
- 산도 계수 (pKa)
- 3.8 · 3.80±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
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]
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2918.29.7500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsEpidermis
Cellular LocationsMitochondria
응용 분야
용도DL-p-Hydroxyphenyllactic Acid is used as a reagent in the synthesis of 2-O-(4-coumaroyl)-3-(4-hydroxyphenyl)lactic acid, an important intermediate of rosmarinic acid biosynthesis.
공급사88 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司
관련 반응
8건
화합물 노트
불러오는 중…