3-Methyl-2-butanol

HCID 11732CAS 1517-66-4

Grundinformationen

Standard-SMILES
CC(C)C(C)O
InChIKey
MXLMTQWGSQIYOW-UHFFFAOYSA-N
Summenformel
C5H12O
Durchschnittliche Molmasse
88,15 g/mol
Monoisotopische Masse
88,088815

Namen und Bezeichner

Bevorzugter Name
3-Methyl-2-butanol
IUPAC
3-methylbutan-2-ol
Englischer Name
3-Methyl-2-butanol
Summenformel
C5H12O
Molmasse
88.15

Namen und Synonyme

3-METHYL-2-BUTANOL3-Methylbutan-2-ol598-75-42-Methyl-3-butanolsec-Isoamyl alcohol2-Butanol, 3-methyl-IsopropylmethylcarbinolMethylisopropylcarbinol1,2-Dimethylpropanol1,2-Dimethyl-1-propanolDL-3-Methyl-2-butanol(CH3)2CHCH(OH)CH3
Weitere Namen anzeigen
FEMA No. 3703NSC 7116293FF0F303RIsopropyl methyl carbinolEINECS 209-950-2NSC-711621,2-dimethylpropyl alcoholCHEBI:77517

Datenbank-Bezeichner

CAS
1517-66-4、598-75-4
PubChem CID
11732
DTXSID
DTXSID20862268
ChEMBL
CHEMBL443470
ChEBI
CHEBI:77517
UNII
93FF0F303R
EC Number
209-950-2
Nikkaji
J43.343H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

LogP1.28
Density0.815-0.821
Solubility · 2 Einträge

56 mg/mL at 25 °C

(in ethanol)

Boiling Point · 2 Einträge

112.00 to 114.00 °C. @ 760.00 mm Hg

112 °C

Vapor Pressure9.15 [mmHg]
Refractive Index1.406-1.412

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (12.8%): Flammable liquid and vapor [Warning Flammable liquids];H332 (99.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (99.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1475 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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 · 2 Einträge

Chemical: 2-Butanol, 3-methyl-

2-Butanol, 3-methyl-: 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
Hazards Summary · 1 Eintrag

Overexposure may cause skin, eye, nose, and throat irritation, headache, dizziness, dyspnea, nausea, and vomiting; [Merck Index] Safe when used as a flavoring agent in food; [JECFA] A respiratory tract irritant; Harmful by inhalation; May defat the skin; [Alfa Aesar MSDS] See 2-Methyl-1-butanol and 2-Methyl-2-butanol.

Hazard Classes and CategoriesFlam. Liq. 3 (12.8%);Acute Tox. 4 (99.2%);STOT SE 3 (99.7%)

Sicherheit und Schutzausrüstung

Exposure Control and Personal Protection20.0 [ppm]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 2-Butanol, 3-methyl-

2-Butanol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm;Extracellular

Verwendung und Herstellung

UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Butanol, 3-methyl-: ACTIVE

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]

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