Hydroxyoctadecansure

2-Hydroxystearic acid

HCID 69417CAS 1330-70-7
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Grundinformationen

Standard-SMILES
CCCCCCCCCCCCCCCCC(O)C(=O)O
InChIKey
KIHBGTRZFAVZRV-UHFFFAOYSA-N
Summenformel
C18H36O3
Durchschnittliche Molmasse
300,5 g/mol
Monoisotopische Masse
300,26644501

Überblick

2-hydroxyoctadecanoic acid is a long-chain fatty acid that is stearic (octadecanoic) acid substituted at position 2 by a hydroxy group. It has a role as a human metabolite. It is a 2-hydroxy fatty acid and a hydroxyoctadecanoic acid. It is a conjugate acid of a 2-hydroxyoctadecanoate.

Namen und Bezeichner

Bevorzugter Name
2-Hydroxystearic acid
IUPAC
2-hydroxyoctadecanoic acid
Lokaler Name
Hydroxyoctadecansure
Englischer Name
2-Hydroxyoctadecanoic acid
Summenformel
C18H36O3
Molmasse
300.48

Namen und Synonyme

2-Hydroxyoctadecanoic acid2-Hydroxystearic acid629-22-1alpha-Hydroxystearic acidOctadecanoic acid, 2-hydroxy-99EP4WX42OCHEBI:19660DTXSID70415248NSC-907alpha-hydroxyoctadecanoic acidRefChem:909952DTXCID30964045
Weitere Namen anzeigen
hydroxyoctadecanoic acid2-HYDROXY C18:0 ACID6-hydroxystearic acidA-HYDROXYSTEARIC ACID
688-468-81330-70-7dl-2-hydroxystearic acidOctadecanoic acid, hydroxy-MFCD000465262-hydroxy-octadecanoic acidDL-alpha-Hydroxystearic acid.alpha.-Hydroxystearic acid

Datenbank-Bezeichner

CAS
1330-70-7、17773-30-7、629-22-1
PubChem CID
69417
DTXSID
DTXSID70415248
ChEMBL
CHEMBL4562220
ChEBI
CHEBI:19660
UNII
99EP4WX42O
EC Number
688-468-8
Nikkaji
J95.427F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7,5
Polarare Oberfläche (TPSA)
57,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
16
Schwere Atome
21

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Collision Cross Section180.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

Physikochemische Eigenschaften

storage temp.
Sealed in dry,Room Temperature
EPA chemische Informationen
Octadecanoic acid, hydroxy- (1330-70-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Octadecanoic acid, hydroxy-

Status: Active Update: 21-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/32060

Octadecanoic acid, hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk
3
tsca
TSCA listed

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationOctadecanoic acid, hydroxy-: ACTIVE

Anbieter50 Anbieter

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

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