Grundinformationen
- Standard-SMILES
CCCC(C)(C)O- InChIKey
WFRBDWRZVBPBDO-UHFFFAOYSA-N- Summenformel
- C6H14O
- Durchschnittliche Molmasse
- 102,17 g/mol
- Monoisotopische Masse
- 102,10446507
Überblick
2-methylpentan-2-ol appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylpentan-2-ol
- IUPAC
- 2-methylpentan-2-ol
- Lokaler Name
- 2-Methylpentan-2-ol
- Englischer Name
- 2-Methyl-2-pentanol
- Summenformel
- C6H14O
- Molmasse
- 102.17
Namen und Synonyme
2-METHYL-2-PENTANOL2-Methylpentan-2-ol590-36-32-Pentanol, 2-methyl-2-Hydroxy-2-methylpentane1,1-Dimethylbutanol1,1-dimethyl-1-butanol2-Methyl-2-hydroxypentaneUNII-HU2SO831KPHU2SO831KPMethyl-2 pentanol-2Dimethyl propyl carbinol
Weitere Namen anzeigen
2-methyl-2-pentano2-methyl-pentan-2-ol2-Pentanol,2-methyl-DIMETHYLPROPYLCARBINOL
NSC 8686NSC-8686EINECS 209-681-0UN25604-METHYL-4-PENTANOLDTXSID40604402-METHYL-2-AMYL ALCOHOL4-HYDROXY-4-METHYLPENTANE
Datenbank-Bezeichner
- CAS
590-36-3- PubChem CID
- 11543
- DTXSID
DTXSID4060440- ChEMBL
CHEMBL450417- UNII
- HU2SO831KP
- EC Number
- 209-681-0
- Nikkaji
- J59.832A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 48,1
Experimentelle und physikochemische Eigenschaften
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Vapor Pressure8.6 [mmHg]
Physical Description
2-methylpentan-2-ol appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.
Colorless liquid; [CAMEO]
Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- -107 °C · -107 °C
- Siedepunkt
- 120 · 120-122 °C(lit.)
- Dichte
- 0.835 g/mL · 0.835 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.411(lit.)
- Flammpunkt
- 70 °F · 70 °F
- storage temp.
- Flammables area
- Löslichkeit
- 32.4 g/l · 32.4g/l
- pka
- 15.38 · 15.38±0.29(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- 1 %indipropylene · at 1.00%indipropylene glycol. pungent
- Explosionsgrenze
- 1.1 · 1.1-7%(V)
- Wasserlöslichkeit
- 20 °C · Soluble in water at 20°C 32g/L. Soluble in alcohol.
- BRN
- 1718951 · 1718951
- Henry's Law Constant
- 2.8 · 2.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
- 1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
- InChIKey
- WFRBDWRZVBPBDO-UHFFFAOYSA-N
- SMILES
- CCCC(C)(C)O
- LogP
- 1.603 · 1.603 (est)
- CAS Datenbank
- 590 · 590-36-3(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Methyl-2-pentanol (590-36-3)
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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Pentanol, 2-methyl-: HSNO Approval: HSR001259 Approved with controls
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards SummaryHighly flammable; [CAMEO] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Methyl-1-pentanol.
DOT ID and Guide2560 129
Reactive GroupAlcohols and Polyols
Reactivity AlertsHighly Flammable
Reactivity Profile
2-METHYLPENTAN-2-OL 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.
DOT Hazard Classification
2-Methylpentan-2-ol
UN2560
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2560
- hs_code
- 29051900
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing Information2-Pentanol, 2-methyl-: ACTIVE
Anwendungen
VerwendenIt is used to study its antagonist activity. It reacts with a second target site to alter the spatial relation between the hydrophobic agonist binding site and the allosteric site. It may initiate the polymerization of isocyanates and epoxides.
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