(R)-6,8-디머캅토옥탄산

(R)-Dihydrolipoic acid

HCID 9834298

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 119365-69-4
표준 SMILES: O=C(O)CCCC[C@@H](S)CCS
InChIKey: IZFHEQBZOYJLPK-SSDOTTSWSA-N
분자식: C8H16O2S2
평균 분자량: 208.3 g/mol
단동위원소 질량: 208.0591721

이름 및 식별자

우선 이름: (R)-Dihydrolipoic acid
IUPAC: (6R)-6,8-bis(sulfanyl)octanoic acid
현지명: (R)-6,8-디머캅토옥탄산
영어명: (R)-6,8-Dimercaptooctanoic acid
분자식: C8H16O2S2
분자량: 208.34

이름 및 동의어

(R)-dihydrolipoic acidDihydrolipoic acid, RDihydrolipoic acid, (R)-r-dihydrolipoic acid(6R)-6,8-dimercaptooctanoic acid(6R)-6,8-disulfanyloctanoic acidRDHLADihydrothioctic acid, (R)-(+)-6,8-Dithiooctanoic acid(6R)-6,8-bis(sulfanyl)octanoic acidOctanoic acid, 6,8-dimercapto-, (6R)-(R)-DHLA

이름 더 보기

(R)-6,8-디머캅토옥탄산α-Dihydrolipoic acidLipoic Acid Impurity 32R-(+)-Dihydrolipoic acid(R)-6,8-Dimercaptooctanoicaci(R)-6,8-Dimercaptooctanoic acid

(6R)-DHLAUNII-00K1YL9Q69(R)-Dihydro-alpha-lipoic acid(R)-6,8-Dihydrothioctic acid(6R)-6,8-dihydrothioctic acid00K1YL9Q69CHEBI:45230R-DIHYDROLIPOIC ACID [WHO-DD]

데이터베이스 식별자

CAS: 119365-69-4
PubChem CID: 9834298
DTXSID: DTXSID60963521
ChEBI: CHEBI:45230
UNII: 00K1YL9Q69
EC Number: 663-883-7
Nikkaji: J67.184C

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 39.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 12
형식 전하: 0
복잡도: 128

물리화학적 성질

끓는 점: 361 °C · 361°C
밀도: 1.134 · 1.134
인화점: 172 °C · 172°C
산도 계수 (pKa): 4.74 · 4.74±0.10(Predicted)
InChI: InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
InChIKey: IZFHEQBZOYJLPK-SSDOTTSWSA-N
SMILES: C(O)(=O)CCCC[C@@H](S)CCS

안전 및 규제

GHS 분류

GHS Classification · 5건

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 38 reports by companies from 1 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.