DL-3,4-DIHYDROXYPHENYL글리콜

3,4-Dihydroxyphenylethyleneglycol

HCID 91528CAS 28822-73-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
OCC(O)c1ccc(O)c(O)c1
InChIKey
MTVWFVDWRVYDOR-UHFFFAOYSA-N
분자식
C8H10O4
평균 분자량
170.16 g/mol
단동위원소 질량
170.0579088

개요

3,4-dihydroxyphenylethyleneglycol is a tetrol composed of ethyleneglycol having a 3,4-dihydroxyphenyl group at the 1-position. It has a role as a metabolite and a mouse metabolite. It is a member of catechols and a tetrol.

이름 및 식별자

우선 이름
3,4-Dihydroxyphenylethyleneglycol
IUPAC
4-(1,2-dihydroxyethyl)benzene-1,2-diol
현지명
DL-3,4-DIHYDROXYPHENYL글리콜
영어명
DL-3,4-DIHYDROXYPHENYL GLYCOL
분자식
C8H10O4
분자량
170.16

이름 및 동의어

3,4-Dihydroxyphenylethyleneglycol3343-19-9Dihydroxyphenylethylene glycolCHEBI:1387RefChem:48624228822-73-34-(1,2-dihydroxyethyl)benzene-1,2-diol3,4-DihydroxyphenylglycolDOPEGdl-3,4-DihydroxyphenylglycolDL-3,4-Dihydroxyphenyl glycol1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-
이름 더 보기
DL-3,4-DIHYDROXYPHENYL글리콜DHPGNsc92532DIHYDROXYPHENYLGLYCOL(3,4-DIHYDROXYPHENYL)-GLYCOL3,4,β-Trihydroxybenzeneethanol3,4-Dihydroxyphenylethylene glycolDL-B 3,4-TRIHYDROXYPHENETHYLALCOHOL
rac 3,4-Dihydroxyphenylethylene GlycolUEH9K539KJ(3,4-Dihydroxyphenyl)glycol3,4-dihydroxyphenethyl glycol4-(1,2-Dihydroxyethyl)-1,2-benzenediol3,4-dihydroxyphenylethyl glycolDTXSID20865451(+/-)-3,4-Dihydroxyphenylglycol

데이터베이스 식별자

CAS
28822-73-3、3343-19-9
PubChem CID
91528
DTXSID
DTXSID20865451
ChEBI
CHEBI:1387
UNII
UEH9K539KJ
EC Number
249-260-9
Nikkaji
J45.947J

물성

구조 계산 물성

XLogP
-1
극성 표면적
80.9 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other
LogP · 2건

-1.01

-1.01

Melting Point130 - 132 °C
Vapor Pressure0.00000016 [mmHg]
Physical DescriptionSolid
Collision Cross Section · 2건

127.5 Ų [M-H2O-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

127.7 Ų [M-H-H2O]-

물리화학적 성질

저장 조건
20 °C · −20°C

안전 및 규제

GHS 분류

GHS Classification · 4건

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummarySee Benzyl alcohol and Phenylethyl alcohol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

약리 정보

Tissue LocationsAdrenal Medulla
Cellular LocationsCytoplasm
Metabolite PathwaysAlkaptonuria

용도 및 제조

UsesNoradrenaline metabolite in mouse brain. [ChemIDplus]

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

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