CAS 28315-93-7 5-Hydroxy-1-tetralone (HCID 119921)

이름 및 식별자

우선 이름: 5-Hydroxy-1-tetralone
IUPAC: 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
현지명: 5-히드록시-1-테트라론
영어명: 5-Hydroxy-1-tetralone
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

5-Hydroxy-1-tetralone28315-93-71(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-3,4-Dihydro-5-hydroxy-1(2H)-naphthalenoneDTXSID00577008605DD71BSDTXCID40314891,2,3,4-Tetrahydro-1-oxo-5-hydroxynaphthaleneRefChem:536157248-958-05-hydroxy-3,4-dihydro-2H-naphthalen-1-one5-HYDROXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

이름 더 보기

5-히드록시-1-테트라론5-Hydroxy-1-tetraL5-HYDROY-1-TETRAIONE5-Hydroxy-α-tetralone5-Hydroxy-1-tetrazoleLevobunolol Impurity 55-hydroxy-1-oxotetraline

1-Tetralon-5-ol5-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONEMFCD000016935-hydroxytetralone5-hydroxy-2,3,4-trihydronaphthalen-1-one5-Hydroxy-3,4-dihydro-1(2H)-naphthalenone5-HYDROXYTETRALIN-1-ONE1,2,3,4-Tetrahydro-5-hydroxynaphthalen-1-one

데이터베이스 식별자

CAS: 28315-93-7
PubChem CID: 119921
DTXSID: DTXSID0057700
ChEMBL: CHEMBL3561186
UNII: 8605DD71BS
EC Number: 248-958-0
Nikkaji: J208.595J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 206 · 206-209 °C (lit.)
끓는 점: 228.88 °C · 228.88°C (rough estimate)
밀도: 1.0281 · 1.0281 (rough estimate)
굴절률: 1.538 · 1.5380 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 알코올, 에테르, 벤젠, 아세트산에 용해됩니다.
물리적 상태: 고체
산도 계수 (pKa): 9.37 · 9.37±0.20(Predicted)
색상: 흰색에서 황백색까지
BRN: 2437410 · 2437410
InChI: InChI=1S/C10H10O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,11H,2,4,6H2
InChIKey: YPPZCRZRQHFRBH-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C(O)=CC=C2)CCC1
NIST: 5 · 5-Hydroxy-1-tetralone(28315-93-7)

화학적 성질

light yellow to beige or pinkish crystalline

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (71.4%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.；There are 3 notifications provided by 6 of 7 reports by companies with hazard statement code(s).；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

Regulatory Information1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)；Eye Irrit. 2A (85.7%)；STOT SE 3 (71.4%)

규제 정보

Regulatory Information1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
HS 번호: 29145090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26-36
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도5-Hydroxy-1-tetralone, is used as a metabolite of Levobunolol (L335000) and d-Bunolol (L335010). It is also used as a reagent for the determination of hexoses and oligosaccharides by a fluorescence technique. A reagent that is used for fluorescence determination of enzyme activity. Some of the other applications include as internal standard during HPLC determination of 4-hydroxymephenytoin (4-OH-M) in human urine, as fluorescent labeling reagent during micro detection of glycosphingolipid on TLC plates, in synthesis of 1,2,3,4-tetrahydro-5H-1-benzazepine-quinone derivatives, in synthesis of new chiral oxathiane.