1,1-Dimethylprop-2-ynyl acetate

HCID 74144

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Basic information

CAS: 1604-29-1
Standard SMILES: C#CC(C)(C)OC(C)=O
InChIKey: HBSFTVGBQDJTAW-UHFFFAOYSA-N
Molecular formula: C7H10O2
Average molar mass: 126.15 g/mol
Monoisotopic mass: 126.06807956

Overview

See also: Flunisolide (annotation moved to).

Names & identifiers

Preferred name: 1,1-Dimethylprop-2-ynyl acetate
IUPAC: 2-methylbut-3-yn-2-yl acetate
English name: 1,1-dimethylprop-2-ynyl acetate
Molecular formula: C7H10O2
Molecular weight: 126.15

Names & synonyms

1604-29-11,1-Dimethylprop-2-ynyl acetateEINECS 216-508-23-Butyn-2-ol, 2-methyl-, acetateAI3-23123DTXSID80166875NSC 5587RefChem:410252DTXCID9089366216-508-22-methylbut-3-yn-2-yl acetate2-Methyl-3-butyn-2-yl acetate

Show more names

2-METHYL-3-BUTYN-2-OL ACETATE1,1-Dimethyl-2-propynyl acetate2-methylbut-3-yn-2-yl ethanoate3-Butyn-2-ol, 2-methyl-, 2-acetateAcetic acid 1,1-dimethylpropargyl esterAcetic acid 2-methyl-3-butyne-2-yl esteracetic acid 1,1-dimethylprop-2-ynyl ester

MFCD001268643-acetoxy-3-methyl-1-butyneNSC5587Dimethylethynylcarbinol acetate2-methylbut-3-yn-2-ylacetateSCHEMBL1771668SCHEMBL4677295dimethyl ethynyl carbinol acetate

Database identifiers

CAS: 1604-29-1
PubChem CID: 74144
DTXSID: DTXSID80166875
EC Number: 216-508-2
Nikkaji: J195.218H

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 133 · 133-133.5 °C
Density: 0.939 g/cm3 · 0.939 g/cm3
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H226
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS02
Hazard statements: H335-H319-H315-H226
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362