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HCID 83268Erstellt: 26. Oktober 2026

2,6-Dimethylheptan-2-ol

DIMETOL · 2,6-Dimethylheptan-2-ol · 2-Heptanol, 2,6-dimethyl- · freesiol · LOLITOL · 2,6-Dimetol · freesia heptanol · DIMETOL (code:4609001)

https://huagongshe.com/de/chemical/83268

Molekülstruktur von 2,6-Dimethylheptan-2-ol

Identifikatoren & physikalische Daten

CAS No.13254-34-7
SummenformelC9H20O
Durchschnittliche Molmasse144,25 g/mol
Monoisotopische Masse144,15141526 g/mol
SMILESCC(C)CCCC(C)(C)O
InChIKeyHGDVHRITTGWMJK-UHFFFAOYSA-N
PubChem CID83268
ChEMBLCHEMBL3187118
EC No.236-244-1
DTXSIDDTXSID6041424
Lokaler Name2,6-Dimethylheptan-2-ol

Chemische & physikalische Eigenschaften

XLogP2,7
Polarare Oberfläche (TPSA)20,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen4
Schwere Atome10
Formalladung0
Komplexität84
Physical DescriptionLiquidCBI
Kovats Retention Index1023
Schmelzpunkt-10 °C
Siedepunkt180 °C
Dichte0.81
Dampfdruck18.5Pa at 20℃
Brechungsindex1.425-1.427
Flammpunkt63 °C
LagerbedingungenStorage temp. 2-8°C
Aggregatzustandsolid
pKa (Säurekonstante)15.34±0.29(Predicted)
Geruchat 100.00 %. fresh dihydrolinalool floral woody citrus herbal
Geruchsartherbal
LöslichkeitSLIGHTLY SOLUBLE
Henry-Konstante5.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
InChI1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3
InChIKeyHGDVHRITTGWMJK-UHFFFAOYSA-N
SMILESCC(C)CCCC(C)(C)O
LogP (Verteilungskoeffizient)3
CAS Datenbank13254-34-7(CAS DataBase Reference)
NIST chemische Informationen2-Heptanol, 2,6-dimethyl-(13254-34-7)
EPA chemische Informationen2-Heptanol, 2,6-dimethyl- (13254-34-7)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 0.2% (4 of 1853) of reports.WarningH315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (99.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 1853 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 1853 reports by companies.There are 5 notifications provided by 1849 of 1853 reports by companies with hazard statement code(s).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.
Regulatorische InformationenChemical: 2-Heptanol, 2,6-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Heptanol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanol, 2,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 25-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/194032,6-Dimethylheptan-2-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (99.8%)Eye Irrit. 2 (99.8%)
Wassergefährdungsklasse (WGK)WGK 1
TSCA-Inventar-StatusTSCA listed
R-Sätze (R)41
Sicherheitshinweise (S)24/25-39-26
Lagerklasse10 - Combustible liquids
GefahrenklasseEye Irrit. 2Skin Irrit. 2

Anwendungen & Verwendung

Verwenden

2,6-Dimethyl-2-heptanol is used in preparation and analytical study of perfumes . It is also used in preparation of 3''-ketoglycoside compounds with insect repellent effect.