2,6-Dimethylheptan-2-ol

2,6-Dimethyl-2-heptanol

HCID 83268CAS 13254-34-7
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Grundinformationen

Standard-SMILES
CC(C)CCCC(C)(C)O
InChIKey
HGDVHRITTGWMJK-UHFFFAOYSA-N
Summenformel
C9H20O
Durchschnittliche Molmasse
144,25 g/mol
Monoisotopische Masse
144,15141526

Namen und Bezeichner

Bevorzugter Name
2,6-Dimethyl-2-heptanol
IUPAC
2,6-dimethylheptan-2-ol
Lokaler Name
2,6-Dimethylheptan-2-ol
Englischer Name
2,6-Dimethyl-2-heptanol
Summenformel
C9H20O
Molmasse
144.25

Namen und Synonyme

2,6-Dimethyl-2-heptanol2,6-Dimethylheptan-2-ol13254-34-72-Heptanol, 2,6-dimethyl-DimetolFreesiolLolitolDTXSID6041424DTXCID4021424991142090ZRefChem:83282236-244-1
Weitere Namen anzeigen
2,6-Dimetolfreesia heptanolDIMETOL (code:4609001)2,6-dimethyl-2-heptano2,6-dimethylheptan-1-ol
MFCD00072198EINECS 236-244-1BRN 1733525UNII-991142090ZSCHEMBL818852-01-00-00457 (Beilstein Handbook Reference)2,6-Dimethyl-2-heptanol #2,6-Dimethyl n-heptan-2-ol

Datenbank-Bezeichner

CAS
13254-34-7
PubChem CID
83268
DTXSID
DTXSID6041424
ChEMBL
CHEMBL3187118
UNII
991142090Z
EC Number
236-244-1
Nikkaji
J1.972.958C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,7
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
4
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid; CBI
Kovats Retention Index1023

Physikochemische Eigenschaften

Schmelzpunkt
-10 °C · -10 °C
Siedepunkt
180 °C · 180 °C
Dichte
0.81 · 0.81
Dampfdruck
18.5 Pa · 18.5Pa at 20℃
Brechungsindex
1.425 · 1.425-1.427
Flammpunkt
63 °C · 63 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.2% (4 of 1853) of reports.

Warning

H315 (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.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 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/19403

2,6-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%)

Regulatorische Informationen

Regulatory Information · 5 Einträge

Chemical: 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/19403

2,6-Dimethylheptan-2-ol: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
WGK 1
tsca
TSCA listed
risk_code
41
safety_code
24/25-39-26
Speicherklasse
10 - Combustible liquids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 7,000,000 - <8,500,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 39 consumer products that contain 2,6-Dimethylheptanol in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2 Einträge

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing

2-Heptanol, 2,6-dimethyl-: ACTIVE

Anwendungen

Verwenden2,6-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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

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