6-Hydroxyhexanoic Acid

6-HYDROXYHEXANOIC ACID · 6-hydroxyhexanoate · NSC 617319 · 6-Hydroxycaproic acid · 8-Hydroxyhexanoic acid · 6-Hydroxycaproic acid,95% · Hexanoic acid, 6-hydroxy- · epsilon-Hydroxycaproic acid

https://huagongshe.com/de/chemical/14490

Molekülstruktur von 6-Hydroxyhexanoic Acid

Identifikatoren & physikalische Daten

CAS No.	1191-25-9
Summenformel	C6H12O3
Durchschnittliche Molmasse	132,16 g/mol
Monoisotopische Masse	132,07864424 g/mol
SMILES	O=C(O)CCCCCO
InChIKey	IWHLYPDWHHPVAA-UHFFFAOYSA-N
PubChem CID	14490
ChEMBL	CHEMBL2006530
ChEBI	CHEBI:17869
EC No.	681-173-5
DTXSID	DTXSID00152316

Chemische & physikalische Eigenschaften

XLogP	-0,4
Polarare Oberfläche (TPSA)	57,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	9
Formalladung	0
Komplexität	80
Physical Description	Solid
Kovats Retention Index	2540.1
Schmelzpunkt	38-40 °C
Siedepunkt	113-116 °C
Dichte	0.981
Brechungsindex	1.44
Flammpunkt	>110°C
Lagerbedingungen	Sealed in dry,Store in freezer, under -20°C
Aggregatzustand	Low Melting Crystalline Solid
pKa (Säurekonstante)	4.75±0.10(Predicted)
Farbe	White
Löslichkeit	Soluble in water.
InChI	InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
InChIKey	IWHLYPDWHHPVAA-UHFFFAOYSA-N
SMILES	C(O)(=O)CCCCCO
LogP (Verteilungskoeffizient)	-0.191 (est)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH228 (14.3%): Flammable solid [Danger Flammable solids]H314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (85.7%)Eye Irrit. 2 (85.7%)
UN-Transportnummer	UN 1760 8/PG 2
Zollcode	29181998
R-Sätze (R)	34
Gefahrensymbole	C
Sicherheitshinweise (S)	24/25-45-36/37/39-26-23

Anwendungen & Verwendung

Verwenden

6-Hydroxyhexanoic acid acts as a useful reagent in synthetic chemistry. It is used as a precursor to prepare surface active monomers.