3-Hydroxyoctanoic acid
Grundinformationen
- CAS
88930-08-9- Standard-SMILES
CCCCCC(O)CC(=O)O- InChIKey
NDPLAKGOSZHTPH-UHFFFAOYSA-N- Summenformel
- C8H16O3
- Durchschnittliche Molmasse
- 160,21 g/mol
Überblick
3-hydroxyoctanoic acid is an 8-carbon, beta-hydroxy fatty acid which may be a marker for primary defects of beta-hydroxy fatty acid metabolism. Repeating unit of poly(3-hydroxyoctanoic acid), a biopolymer used by numerous bacterial species as carbon and energy reserves. It is a 3-hydroxy monocarboxylic acid, a medium-chain fatty acid and a 3-hydroxy fatty acid. It is functionally related to an octanoic acid. It is a conjugate acid of a 3-hydroxyoctanoate.
Namen und Bezeichner
- Bevorzugter Name
- 3-Hydroxyoctanoic acid
- IUPAC
- 3-hydroxyoctanoic acid
- Englischer Name
- 3-Hydroxyoctanoic acid
- Summenformel
- C8H16O3
- Molmasse
- 160.21
Namen und Synonyme
3-HYDROXYOCTANOIC ACID14292-27-43-hydroxycaprylic acidOctanoic acid, 3-hydroxy-3-hydroxy-octanoic acidbeta-hydroxyoctanoic acidCHEBI:370988M44B02CSJDTXSID00864487RefChem:911418DTXCID30812996872-032-0
Weitere Namen anzeigen
dl-B-hydroxycaprylic acid3-HYDROXY C8:0 ACIDdl-β-hydroxycaprylic acid(±)-3-Hydroxyoctanoic acid(+/-)-3-Hydroxyoctanoic acid >=97%
88930-08-9(+/-)-3-Hydroxyoctanoic acid3-hydroxy caprylic acidMFCD00133277DL-beta-Hydroxycaprylic acid3-OH octanoic acid3-OH-caprylic acidbeta-OH-caprylic acid
Datenbank-Bezeichner
- CAS
88930-08-9- ChEMBL
CHEMBL6173005- ChEBI
CHEBI:37098- UNII
- 8M44B02CSJ
- EC Number
- 872-032-0
- Nikkaji
- J262.007C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 112
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physikochemische Eigenschaften
- storage temp.
- -20 °C · -20°C
- Aggregatzustand
- powder or solid
- InChI
- 1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
- InChIKey
- NDPLAKGOSZHTPH-UHFFFAOYSA-N
- SMILES
- CCCCCC(O)CC(O)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationChemical: Octanoic acid, 3-hydroxy-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anbieter19 Anbieter
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
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