2-Methyl-3-butyn-2-ol

HCID 8258CAS 115-19-5

Basic information

Standard SMILES
C#CC(C)(C)O
InChIKey
CEBKHWWANWSNTI-UHFFFAOYSA-N
Molecular formula
C5H8O
Average molar mass
84.12 g/mol
Monoisotopic mass
84.05751488

Overview

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

Names & identifiers

Preferred name
2-Methyl-3-butyn-2-ol
IUPAC
2-methylbut-3-yn-2-ol
English name
3-Methyl butynol
Molecular formula
C5H8O
Molecular weight
84.12

Names & synonyms

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
Show more names
MBYMethyl butynol2-Methyl-3-Butyne-2-OlAB-322-MethylbutynolMethylbutylenol
1,1-Dimethylpropargyl alcoholDTXSID2021949EHB904XHKHNSC-523DTXCID701949RefChem:88076204-070-53-Methyl-1-butyn-3-ol

Database identifiers

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

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
6

Experimental & physicochemical properties

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

0.318

0.28

Density · 3 items

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 items

77 °F (USCG, 1999)

20 °C c.c.

Physicochemical properties

Melting point
3 °C · 3 °C
Boiling point
104 °C · 104 °C(lit.)
Density
0.868 g/mL · 0.868 g/mL at 25 °C(lit.)
vapor pressure
15 mm · 15 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.42(lit.)
Flash point
77 °F · 77 °F

Safety & regulation

GHS classification

GHS Classification · 6 items

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

Hazard information

Regulatory Information · 3 items

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 items

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 item

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]

Safety & protection

Fire Fighting · 2 items

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 items

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 item

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.

Toxicology

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

Cough.

Redness. Pain.

Dizziness.

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

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
ES0810000
ridadr
UN 1987 3/PG 2
hs_code
29052990

Chemistry & industry

Uses & manufacturing

Uses · 2 items

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
Applications · 3 items

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

Uses2-Methyl-3-butyn-2-ol is used as an intermediate in the manufacture of products for the agrochemical and specialty chemical industry.

General DescriptionColorless to straw yellow liquid.

Preparation methods

Preparation3-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.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

483 records

Linked notes

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2-Methyl-3-butyn-2-ol (HCID 8258)|Huagongshe