DL-6,8-티옥트 산

리포산 · DL-6,8-티옥트산 · DL-6,8-티옥트산(DL-6,8-THIOCTICACID) · 티옥틱애씨드 · ALA · THIOCTIC ACID · ALPHA-LIPOIC ACID · DL-THIOCTIC ACID

https://huagongshe.com/ko/chemical/864

식별자 및 물리적 특성

CAS No.	1077-28-7
분자식	C8H14O2S2
평균 분자량	206.3 g/mol
단동위원소 질량	206.04352169 g/mol
SMILES	O=C(O)CCCCC1CCSS1
InChIKey	AGBQKNBQESQNJD-UHFFFAOYSA-N
PubChem CID	864
ChEMBL	CHEMBL134342
ChEBI	CHEBI:16494
EC No.	200-534-6
DTXSID	DTXSID7025508
현지명	DL-6,8-티옥트 산

화학 및 물리적 성질

XLogP	1.7
극성 표면적	87.9
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	5
무거운 원자 수	12
형식 전하	0
복잡도	150
의약품	Pharmaceuticals
Color/Form	Forms yellowish flakes
용해도	Yellow powdersolubility in ethanol: 50 mg/mL /Synthetic, oxidized form/Soluble in methanol, ethanol, diethyl ether and chloroform에탄올: 50mg/mL
Decomposition	When heated to decomposition, material mits toxic fumes of /sulfur oxides/.
녹는점	47.5-48 °C60-62 °C
Dissociation Constants	pKa = 5.10
Collision Cross Section	133.8 Å² [M+H-H2O]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]
Other Experimental Properties	White powder, soluble in water, pH of aqueous solutions about 7.4 /Thioctic acid, sodium salt/Crystals by vacuum sublimation (at 85-90 °C and 25 micron). MP: 46-48 °C (microblock). Specific optical rotation: + 104 deg at 23 °C/D (c = 0.88 in benzene). UV max (methanol): 333 nm (epsilon 150). pKa = 5.4. Practically insoluble in water. Soluble in fat solvents. /Thioctic acid, d-form/Yellow needles from cyclohexane. MP: 60-61 °C. BP: 160-165 °C. Practically insoluble in watersoluble in fat solvents. Forms a water-soluble sodium salt. /Thioctic acid, dl-form/Crystals from cyclohexane. MP: 45-47.5 °C (microblock). Specific optical rotation: -113 deg at 23 °C/D (c = 1.88 in benzene). UV max (methanol): 330 nm (epsilon 140). /Thioctic acid, l-form/
끓는 점	160-165 °C(lit.)
밀도	1.2888 (rough estimate)
굴절률	1.5200 (estimate)
인화점	160-165°C
저장 조건	2-8°C
pKa(산도 계수)	4.75±0.10(Predicted)
물리적 상태	결정 또는 결정성 분말
색상	노란색
생물학적 소스	synthetic
용해도	0.9g/L(20℃)
Merck	14,9326
BRN	81853
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능	항산화제
InChI	1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChIKey	AGBQKNBQESQNJD-UHFFFAOYSA-N
SMILES	OC(=O)CCCCC1CCSS1
LogP(분배 계수)	2.530 (est)
NIST	Dl-thioctic acid(1077-28-7)

화학적 성질

Light-Yellow Solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 6.5% (28 of 430) of reports.WarningH302 (93.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 430 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 42.3% (52 of 123) of reports.
규제 정보	Chemical: 1,2-Dithiolane-3-pentanoic acidStatus: Active Update: 22-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/227161,2-Dithiolane-3-pentanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Toxic Combustion Products	Emits toxic fumes under fire conditions.
Hazard Classes and Categories	Acute Tox. 4 (93.5%)Acute Tox. 4 (57.7%)
Skin, Eye, and Respiratory Irritations	Possible eye, skin, gastrointestinal, and/or respiratory tract irritation.
소화 절차	Water spray, dry chemical, carbon dioxide, or foam as appropriate for surrounding fire and materials.As with all fires, evacuate personnel to a safe area. Firefighters should use self-contained breathing equipment and protective clothing.
보관 조건	Store in tight container as defined in the USP-NF. This material should be handled and stored per label instructions to ensure product integrity.
정리 방법	Wipe up spillage or collect spillage using a high- efficiency vacuum cleaner. Avoid breathing dust. Place spillage in appropriately labeled container for disposal. Wash spill site.
처리 방법	SRP: Expired or waste pharmaceuticals shall carefully take into consideration applicable DEA, EPA, and FDA regulations. It is not appropriate to dispose by flushing the pharmaceutical down the toilet or discarding to trash. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.

용도

개요

DL-α-Lipoic acid is a cyclic disulfide antioxidant that interconverts with its reduced dithiol form. It is an essential cofactor for decarboxylation reactions of the citric acid cycle, and acts as a general antioxidant. DL-α-lipoic acid can act as a direct radical scavenger, as a cofactor to regenerate reduced glutathione, and as a metal chelator.

용도

(±)-α-Lipoic acid has been used in in vitro lipoylation studies and in the pyruvate dehydrogenase complex (PDC)-pyruvate dehydrogenase kinase (PDHK) functional assay. It has also been used to investigate its antioxidative effect on developing cerebellum of rats exposed to arsenic during postnatal period.

일반 설명

Oxidized form. Has antioxidant properties. Growth factor for many bacteria and protozoa.