Grundinformationen
- Standard-SMILES
CCCCC(C)O- InChIKey
QNVRIHYSUZMSGM-UHFFFAOYSA-N- Summenformel
- C6H14O
- Durchschnittliche Molmasse
- 102,17 g/mol
- Monoisotopische Masse
- 102,10446507
Überblick
Hexan-2-ol is a hexanol in which the hydroxy group is at position 2. It has a role as a semiochemical, a plant metabolite and a human metabolite. It is a hexanol and a secondary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- 2-Hexanol
- IUPAC
- hexan-2-ol
- Englischer Name
- (R)-(-)-2-HEXANOL
- Summenformel
- C6H14O
- Molmasse
- 102.17
Namen und Synonyme
2-HEXANOLhexan-2-ol626-93-72-Hydroxyhexane2-Hexyl Alcohol9CDT0V6T4PNSC-3706CHEBI:88370DTXSID30893088(+-)-2-HexanolRefChem:909857DTXCID70811105
Weitere Namen anzeigen
(R)-Hexan-2-ol(R)-2-HEXANOL(2R)-2-Hexanol(2R)-Hexan-2-ol2-Hexanol, (2R)-(R)-(-)-2-hexylol(R)-(-)-2-HEXANOLRARECHEM AK HZ 0015(R)-(-)-2-HEXANOL 99%(R)-(-)-2-HYDROXYHEXANE
210-971-4(+/-)-2-HexanolMFCD00004585n-C4H9CH(OH)CH354972-97-32-Hexanol, (S)-Hexan-2-ol; 2-Hexanol69203-06-1
Datenbank-Bezeichner
- CAS
26549-24-6、37769-60-1、52019-78-0、54972-97-3、626-93-7、69203-06-1- PubChem CID
- 12297
- DTXSID
DTXSID30893088- ChEMBL
CHEMBL45425- ChEBI
CHEBI:88370- UNII
- 9CDT0V6T4P
- EC Number
- 210-971-4
- Nikkaji
- J1.693D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 35,2
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
LogP1.76
Density
Relative density (water = 1): 0.8
0.814 @25 °C
SolubilitySolubility in water: poor
Flash Point41 °C
Boiling Point
136 °C
139 °C @760 [mm Hg]
Vapor DensityRelative vapor density (air = 1): 3.5
Vapor Pressure2.49 [mmHg]
Physical Description
Colorless liquid; [ICSC]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Physikochemische Eigenschaften
- Schmelzpunkt
- -48.42 °C · -48.42°C (estimate)
- Siedepunkt
- 137 · 137-138 °C(lit.)
- Dichte
- 0.814 g/mL · 0.814 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.414(lit.)
- Flammpunkt
- 124 °F · 124 °F
- storage temp.
- Store at room temperature
- pka
- 15.31 · 15.31±0.20(Predicted)
- Geruch (Odor)
- 100 % · at 100.00 %. mushroom dusty oily
- Geruchsart
- earthy
- LogP
- 1.754 · 1.754 (est)
- CAS Datenbank
- 26549 · 26549-24-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 267 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-Hexanol
1-Pentanol, methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
2-Hexanol: HSNO Approval: HSR001168 Approved with controls
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire HazardsFlammable. Above 41 °C explosive vapour/air mixtures may be formed.
Hazards Summary
Causes somnolence after oral doses to guinea pigs; Causes changes in peripheral nerve recordings after intraperitoneal doses to rats; [RTECS] A skin irritant; Can be absorbed through skin; Defats the skin; The substance may have effects on the nervous system, resulting in peripheral neuropathy. [ICSC] A mild skin irritant; [eChemPortal: ERMA] An irritant; Targets nerves; [MSDSonline] See n-Hexane.
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Chemical DangersReacts with strong oxidants.
Peroxide Forming Chemical
2-Hexanol
B*: Compounds that form peroxides on concentration (distillation/evaporation)
1 samples, 10 ppm Peroxide; > 1 yr
Kelly
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Explosive Limits and PotentialExplosive limits , vol% in air:
Sicherheit und Schutzausrüstung
Fire FightingUse foam, alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Refer for medical attention .
Safe StorageFireproof. Separated from strong oxidants.
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in earth, sand or inert absorbent. Then store and dispose of according to local regulations.
Eye PreventionWear face shield.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 41 °C use a closed system, ventilation and explosion-proof electrical equipment.
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.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation.
Effects of Long Term ExposureThe substance defats the skin, which may cause dryness or cracking. The substance may have effects on the nervous system. This may result in peripheral neuropathy.
Effects of Short Term ExposureThe substance is irritating to the skin. The substance may cause effects on the central nervous system.
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation and through the skin.
Signs and SymptomsDry skin. Redness.
ICSC Environmental DataThis substance may be hazardous to the environment. Special attention should be given to algae. Environmental effects from the substance have not been investigated adequately.
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2282 3/PG 3
- hs_code
- 2905190098
- risk_code
- 10
- hazard_class
- 3
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesHexanol is a known human metabolite of hexane.
Verwendung und Herstellung
General Manufacturing Information
2-Hexanol: ACTIVE
1-Pentanol, methyl-: ACTIVE
Zugehörige Reaktionen
25
Verknüpfte Notizen
Wird geladen…