12-Hydroxydodecansure

12-HYDROXYLAURIC ACID · 12-hydroxydodecanic acid · 12-Hydroxydodecanoic acid · Dodecanoic acid, 12-hydroxy- · 12-Hydroxydodecanoic acid 97% · 12-Hydroxydodecanoic acid - [H94813] · 12-Hydroxydodecanoic acid, 10 mM in DMSO · 12-Hydroxydodecanoic acid, 97% white powder

https://huagongshe.com/de/chemical/79034

Molekülstruktur von 12-Hydroxydodecansure

Identifikatoren & physikalische Daten

CAS No.	505-95-3
Summenformel	C12H24O3
Durchschnittliche Molmasse	216,32 g/mol
Monoisotopische Masse	216,17254463 g/mol
SMILES	O=C(O)CCCCCCCCCCCO
InChIKey	ZDHCZVWCTKTBRY-UHFFFAOYSA-N
PubChem CID	79034
ChEMBL	CHEMBL55068
ChEBI	CHEBI:39567
EC No.	208-025-0
DTXSID	DTXSID90198521
Lokaler Name	12-Hydroxydodecansure

Chemische & physikalische Eigenschaften

XLogP	3,6
Polarare Oberfläche (TPSA)	57,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	11
Schwere Atome	15
Formalladung	0
Komplexität	146
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Lipide	Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Schmelzpunkt	85.00 to 88.00 °C. @ 760.00 mm Hg85-88 °C(lit.)
Physical Description	Solid
Collision Cross Section	152.6 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]160.3 Å² [M+Na]+
Siedepunkt	296.74°C (rough estimate)
Dichte	0.988±0.06 g/cm3 (20 ºC 760 Torr)
Brechungsindex	1.4410 (estimate)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	4.78±0.10(Predicted)
Aggregatzustand	Solid
Farbe	White
BRN	1238370
Stabilität	Stable. Incompatible with bases, reducing agents and oxidizing agents. Combustible. May cause dust explosion when mixed with air.
InChI	1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
InChIKey	ZDHCZVWCTKTBRY-UHFFFAOYSA-N
SMILES	OCCCCCCCCCCCC(O)=O
LogP (Verteilungskoeffizient)	2.866 (est)

Sicherheit & Vorschriften

Wassergefährdungsklasse (WGK)	3
Sicherheitshinweise (S)	22-24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

12-Hydroxydodecanoic acid was used in the synthesis of high molecular weight poly[(12-hydroxydodecanoate)-co-(12-hydroxystearate)] [poly(12HD-co-12HS)] samples with variable monomer ratios using methyl 12-hydroxystearate.