CAS 10477-47-1 Propargyl acrylate (HCID 82655)

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Basic information

CAS: 10477-47-1
Standard SMILES: C#CCOC(=O)C=C
InChIKey: WPBNLDNIZUGLJL-UHFFFAOYSA-N
Molecular formula: C6H6O2
Average molar mass: 110.11 g/mol
Monoisotopic mass: 110.03677943

Names & identifiers

Preferred name: Propargyl acrylate
IUPAC: prop-2-ynyl prop-2-enoate
English name: PROPARGYL ACRYLATE
Molecular formula: C6H6O2
Molecular weight: 110.11

Names & synonyms

Propargyl acrylate10477-47-12-Propenoic acid, 2-propynyl ester2-Propynyl acrylate2-Propenoic acid, 2-propyn-1-yl esterUCB3ZIC58QEINECS 233-975-8UNII-UCB3ZIC58QNSC 245495NSC-245495DTXSID30650872-PROPYN-1-OL, ACRYLATE

Show more names

CH2=CHCO2CH2C≡CHTIMTEC-BB SBB008981Propargyl acrylate 98%2-propyn-1-yl propenoateprop-2-ynylprop-2-enoate

ACRYLIC ACID, 2-PROPYNYL ESTERRefChem:176391DTXCID7032892WPBNLDNIZUGLJL-UHFFFAOYSA-Nprop-2-ynyl prop-2-enoateprop-2-yn-1-yl acrylateAcrylic acid propargyl esterprop-2-yn-1-yl prop-2-enoate

Database identifiers

CAS: 10477-47-1
PubChem CID: 82655
DTXSID: DTXSID3065087
ChEMBL: CHEMBL4065948
UNII: UCB3ZIC58Q
EC Number: 233-975-8
Nikkaji: J212.415G

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: 8
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 142 · 142-143 °C (lit.)
Density: 0.997 g/mL · 0.997 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.447(lit.)
Flash point: 110 °F · 110 °F
Water Solubility: Not miscible or difficult to mix with water.
BRN: 1902961 · 1902961
InChI: 1S/C6H6O2/c1-3-5-8-6(7)4-2/h1,4H,2,5H2
InChIKey: WPBNLDNIZUGLJL-UHFFFAOYSA-N
SMILES: C=CC(=O)OCC#C
CAS DataBase Reference: 10477 · 10477-47-1(CAS DataBase Reference)
FDA UNII: 3 ZIC58Q · UCB3ZIC58Q
EPA Substance Registry System: 2 · 2-Propenoic acid, 2-propynyl ester (10477-47-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (78.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 3 (78.7%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
hs_code: 29159000
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36
hazard_class: 6.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propenoic acid, 2-propyn-1-yl ester: ACTIVE

Applications · 3 items

UsesIt is employed as a intermediate for pharmaceutical.

UsesPropargyl acrylate may be used to synthesize:linear poly(N-isopropylacrylamide)(PNIPAM)1-[3-(2-methyl-2-dodecylsulfanylthiocarbonylsulfanylpropionyloxy)propyl]-1H-[1,2,3]triazol-4-ylmethyl acrylate, an acryloyl trithiocarbonate chain transfer agentpropranolol-imprinted core–shell nanoparticles (mipCS)

General DescriptionPropargyl acrylate is a propargyl ester of acrylic acid. It participates in the preparation of lipid nanoparticles for use in siRNA delivery.