Ethyl 3-cyclopropylprop-2-ynoate

HCID 639964

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Basic information

CAS: 123844-20-2
Standard SMILES: CCOC(=O)C#CC1CC1
InChIKey: YQKWSKCBPAMHEJ-UHFFFAOYSA-N
Molecular formula: C8H10O2
Average molar mass: 138.16 g/mol
Monoisotopic mass: 138.06807956

Names & identifiers

Preferred name: Ethyl 3-cyclopropylprop-2-ynoate
IUPAC: ethyl 3-cyclopropylprop-2-ynoate
English name: Ethylcyclopropylpropiolate
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

ethyl 3-cyclopropylprop-2-ynoate123844-20-22-propynoic acid, 3-cyclopropyl-, ethyl esterRefChem:594943825-204-4InChI=1/C8H10O2/c1-2-10-8(9)6-5-7-3-4-7/h7H,2-4H2,1HEthylcyclopropylpropiolateEthyl 3-cyclopropylpropiolateSCHEMBL1513587ethyl3-cyclopropylprop-2-ynoateYQKWSKCBPAMHEJ-UHFFFAOYSA-NYEA84420

Show more names

2-Propynoic acid, 3-cyclopropyl-, ethyl ester (9CI)

MFCD28127816cyclopropyl-propynoic acid ethyl esterDA-340893-Cyclopropyl-2-propynoic acid ethyl esterCS-0055985EN300-91269

Database identifiers

CAS: 123844-20-2
PubChem CID: 639964
EC Number: 825-204-4

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 190

Physicochemical properties

Boiling point: 218.2 · 218.2±7.0 °C(Predicted)
Density: 1.06 · 1.06±0.1 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H227-H315
Precautionary statements: 210 · P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H227-H315
Precautionary statements: P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362