2-Hydroxydecanoic Acid

HCID 21488

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Grundinformationen

CAS: 5393-81-7
Standard-SMILES: CCCCCCCCC(O)C(=O)O
InChIKey: GHPVDCPCKSNJDR-UHFFFAOYSA-N
Summenformel: C10H20O3
Durchschnittliche Molmasse: 188,26 g/mol
Monoisotopische Masse: 188,1412445

Überblick

2-hydroxydecanoic acid is a medium-chain fatty acid that is decanoic acid substituted at position 2 by a hydroxy group. It is a 2-hydroxy fatty acid and a medium-chain fatty acid. It is functionally related to a decanoic acid. It is a conjugate acid of a 2-hydroxydecanoate.

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxydecanoic Acid
IUPAC: 2-hydroxydecanoic acid
Englischer Name: (±)-2-Hydroxydecanoic acid
Summenformel: C10H20O3
Molmasse: 188.26

Namen und Synonyme

2-HYDROXYDECANOIC ACID5393-81-72-Hydroxycapric acid2-hydroxy capric acid2-hydroxy-decanoic acidalpha-Hydroxydecanoic acidhydroxycapric acidB41993WR8WDTXSID101021248NSC-4801ALPHAMIXT HODA, BG SOL.CHEBI:133172

Weitere Namen anzeigen

2-Hydroxydecanoate2-HYDROXY C10:0 ACIDα-Hydroxydecanoic acid2-hydroxy Decylic Acid2- Hydroxydeconoic acid

RefChem:87515DTXCID101506303611-068-1(+/-)-2-Hydroxydecanoic acidDecanoic acid, 2-hydroxy-37639-46-6alpha-Hydroxycapric acidDecanoic acid, hydroxy-

Datenbank-Bezeichner

CAS: 5393-81-7
PubChem CID: 21488
DTXSID: DTXSID101021248
ChEBI: CHEBI:133172
UNII: B41993WR8W
EC Number: 611-068-1
Nikkaji: J111.044F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 8
Schwere Atome: 13
Formalladung: 0
Komplexität: 134

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Cosmetics · 2 Einträge

Cosmetic ingredients (Hydroxycapric Acid) -> CIR (Cosmetic Ingredient Review)

Skin conditioning

Physikochemische Eigenschaften

Schmelzpunkt: 70.5 °C · 70.5 °C
Siedepunkt: 90 · 90-91 °C(Press: 20 Torr)
Dichte: 1.011 · 1.011±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml; Ethanol: 2.5 mg/ml
Aggregatzustand: A crystalline solid
pka: 3.86 · 3.86±0.21(Predicted)
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING
LogP: 2.716 · 2.716 (est)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34206

Hazard Classes and CategoriesSkin Corr. 1 (66.7%)

Toxikologische Informationen

Toxicity Summary · 2 Einträge

The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be based on a QRA...Hydroxycapric Acid...

Safe for use in cosmetics, with qualifications

Sicherheitsdaten

wgk: 3

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: Hydroxycapric Acid

Use ClassificationCosmetics -> Skin conditioning

Anwendungen · 1 Eintrag

Verwenden2-Hydroxydecanoic Acid is used in the study of drug absorption by intestinal mucosal enhancement using decanoic acid and it’s derivatives. In the production of quorum sensing inhibitors in growing onion bulbs infected with Pseudomonas aeruginosa E (HQ324110). Studies on part of carboxylic acid found in human blood.