2-Methyl-3-butyn-2-ol

HCID 8258CAS 115-19-5

Grundinformationen

Standard-SMILES
C#CC(C)(C)O
InChIKey
CEBKHWWANWSNTI-UHFFFAOYSA-N
Summenformel
C5H8O
Durchschnittliche Molmasse
84,12 g/mol
Monoisotopische Masse
84,05751488

Überblick

2-methyl-2-hydroxy-3-butyne is a colorless to straw yellow liquid. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
2-Methyl-3-butyn-2-ol
IUPAC
2-methylbut-3-yn-2-ol
Lokaler Name
2-Methyl-3-butin-2-ol
Englischer Name
3-Methyl butynol
Summenformel
C5H8O
Molmasse
84.12

Namen und Synonyme

2-METHYL-3-BUTYN-2-OL115-19-52-Methylbut-3-yn-2-ol3-Butyn-2-ol, 2-methyl-2-Methyl-2-butynolEthynyldimethylcarbinolCarbavaneDimethylethynylcarbinolDimethylethynylmethanol2-Hydroxy-2-methyl-3-butyneDimethylacetylenecarbinolDimethylacetylenylcarbinol
Weitere Namen anzeigen
MBYMethyl butynol2-Methyl-3-Butyne-2-OlAB-322-MethylbutynolMethylbutylenol
1,1-Dimethylpropargyl alcoholDTXSID2021949EHB904XHKHNSC-523DTXCID701949RefChem:88076204-070-53-Methyl-1-butyn-3-ol

Datenbank-Bezeichner

CAS
115-19-5
PubChem CID
8258
DTXSID
DTXSID2021949
ChEMBL
CHEMBL3185871
UNII
EHB904XHKH
EC Number
204-070-5
Nikkaji
J38.146B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,3
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

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesBoiling point
LogP · 2 Einträge

0.318

0.28

Density · 3 Einträge

0.8672 (USCG, 1999) - Less dense than water; will float

Density (gas): 0.9 kg/m³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.04

SolubilitySolubility in water: miscible
Flash Point · 2 Einträge

77 °F (USCG, 1999)

20 °C c.c.

Physikochemische Eigenschaften

Schmelzpunkt
3 °C · 3 °C
Siedepunkt
104 °C · 104 °C(lit.)
Dichte
0.868 g/mL · 0.868 g/mL at 25 °C(lit.)
Dampfdruck
15 mm · 15 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.42(lit.)
Flammpunkt
77 °F · 77 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 4.8% (24 of 500) of reports.

Danger

H225 (62.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, 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, P305+P354+P338, P317, P318, 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 500 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 3-Butyn-2-ol, 2-methyl-

Status: Active Update: 18-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12665

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

Other Safety InformationIMAP assessments - 3-Butyn-2-ol, 2-methyl-: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 2 Einträge

Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire. (USCG, 1999)

Highly flammable. Vapour/air mixtures are explosive. Risk of explosion on contact with copper.

Health HazardsContact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation. (USCG, 1999)
Hazards Summary · 1 Eintrag

An eye but not skin irritant in rabbits; Not a skin sensitizer in guinea pig modified split adjuvant test; Developmental toxicity observed in rats at doses maternally toxic; [IUCLID] Causes somnolence, lung changes, ataxia, respiratory depression, and general anesthesia in inhalation lethal-concentration studies of mice; Oral LD50 (mouse) = 500 mg/kg; [RTECS] A skin and eye irritant; May cause smarting and reddening of skin if spilled and allowed to remain on clothes; High vapor concentrations may cause mild smarting of eyes and respiratory tract; [CHRIS] An eye irritant; [ICSC] May cause serious eye injury; Harmful by ingestion; [ECHA REACH Registrations] An irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Fire Extinguishing Agents Not to Be Used: Water.

Use carbon dioxide, foam, dry powder. NO water. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact of the substance with water.

First Aid Measures · 4 Einträge

Fresh air, rest.

Rinse skin with plenty of water or shower.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth.

First AidGet medical attention.
Safe StorageFireproof. Separated from strong oxidants, acids and copper. Cool.
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Spillage Disposal · 1 Eintrag

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by ingestion.
Signs and Symptoms · 3 Einträge

Cough.

Redness. Pain.

Dizziness.

Toxicity DataLC50 (mouse) = 2,000 mg/m3

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 1987 3/PG 2
hs_code
29052990
RTECS-Nr.
ES0810000
risk_code
10-22-41

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Has been used as a pheromone substitute in beetle control; [REPROTOX] Used as an intermediate, laboratory reagent, and in wood treatment; [ECHA REACH Registrations]

Applying Wood Preservatives [Category: Other]

General Manufacturing Information3-Butyn-2-ol, 2-methyl-: ACTIVE

Anwendungen

VerwendenStabilizer in chlorinated solvents, viscosity reducer and stabilizer, electroplating brightener, intermediate.

Darstellung

synthetische3-Methyl butynol is produced from Acetone and Acetylene in liquid Ammonia with Sodamide (or in Cellosolve with Potassium hydroxide). The process yields Methylbutynol which can be hydrogenated to Methylbutenol.

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