2-Heptanol
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Grundinformationen
- CAS
52390-72-4- Standard-SMILES
CCCCCC(C)O- InChIKey
CETWDUZRCINIHU-UHFFFAOYSA-N- Summenformel
- C7H16O
- Durchschnittliche Molmasse
- 116,2 g/mol
- Monoisotopische Masse
- 116,12011513
Überblick
2-heptanol appears as a clear colorless alcohol with a mild alcohol odor. Insoluble in water. Floats on water. Soluble in most organic liquids. Moderately toxic. Used as a solvent for various resins and as a flotation agent for ore processing.
Namen und Bezeichner
- Bevorzugter Name
- 2-Heptanol
- IUPAC
- heptan-2-ol
- Englischer Name
- 2-Heptanol
- Summenformel
- C7H16O
- Molmasse
- 116.20134
Namen und Synonyme
2-HEPTANOLHeptan-2-ol543-49-7s-Heptyl alcohol2-Heptyl alcohol2-HydroxyheptaneAmyl methyl carbinol1-MethylhexanolMethyl amyl carbinolHeptanol-2Heptyl alcohol, sec-2-Heptanol (natural)
Weitere Namen anzeigen
FEMA No. 3288NSC 2220DTXSID1047158EINECS 208-844-3E12FIG07JKBRN 1719088AI3-11263NSC-2220
Datenbank-Bezeichner
- CAS
52390-72-4、543-49-7- PubChem CID
- 10976
- DTXSID
DTXSID1047158- ChEMBL
CHEMBL449522- ChEBI
CHEBI:88815- UNII
- E12FIG07JK
- EC Number
- 208-844-3
- Nikkaji
- J6.402E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 43,7
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
FragrancesFragrance Ingredient (2-Heptanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
Relative density (water = 1): 0.82
0.817-0.819 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Solubility in water, g/100ml: 0.35
soluble in alcohol and ether; slightly soluble in water
(in ethanol)
Flash Point
160 °F (NFPA, 2010)
71 °C c.c.
Boiling Point
158-160 °C
157-161 °C
Vapor DensityRelative vapor density (air = 1): 4
Vapor Pressure
1.23 [mmHg]
Vapor pressure, kPa at 20 °C: 0.133
Refractive Index1.421-1.422
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1799) of reports.
Warning
H226 (96.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1799 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Heptanol
2-Heptanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanol 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: 04-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23153
2-Heptanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCombustible Liquid
Fire Hazards
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Combustible. Above 71 °C explosive vapour/air mixtures may be formed.
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards Summary
A severe eye irritant; A respiratory tract and mild skin irritant; Can be absorbed through skin; Defats the skin; [ICSC] Based on animal studies, a severe eye irritant that may cause permanent damage; Inhalation of high concentrations may cause CNS depression; [CHEMINFO] An eye irritant; [eChemPortal: ERMA] An irritant; Can be absorbed through skin; [MSDSonline]
Reactive GroupAlcohols and Polyols
Reactivity Profile
2-HEPTANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Chemical DangersReacts with strong oxidants.
Air and Water ReactionsFlammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (96.6%)
Sicherheit und Schutzausrüstung
Fire Fighting
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Use alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest.
Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink.
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Safe StorageSeparated from strong oxidants.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Above 71 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves.
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms
Cough. Sore throat.
Dry skin.
Redness. Pain.
Burning sensation.
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H226
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Uses
Found in oil of cloves; [Merck Index] Used as solvent for resins and a frothing agent for ore flotation; [Hawley]
Plastic Composites Manufacturing [Category: Industry]
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesNot Known or Reasonably Ascertainable
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Heptanol: ACTIVE
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