CAS 19432-68-9 Methyl thiophen-2-acetate (HCID 88055)

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Basic information

CAS: 19432-68-9
Standard SMILES: COC(=O)Cc1cccs1
InChIKey: KNKIXYMOHMYZJR-UHFFFAOYSA-N
Molecular formula: C7H8O2S
Average molar mass: 156.2 g/mol
Monoisotopic mass: 156.0245005

Names & identifiers

Preferred name: Methyl thiophen-2-acetate
IUPAC: methyl 2-thiophen-2-ylacetate
English name: Methyl 2-thienylacetate
Molecular formula: C7H8O2S
Molecular weight: 156.2

Names & synonyms

19432-68-9Methyl thiophen-2-acetateEINECS 243-054-22-Thiopheneacetic acid, methyl esterAI3-08541DTXSID90173055RefChem:818103DTXCID0095546243-054-2Methyl 2-thienylacetatemethyl 2-(thiophen-2-yl)acetateMethyl thiophene-2-acetate

Show more names

Methyl thiophen-2-ylacetate2-(3-Methylthiophen-2-yl)acetate2-Thienylacetic acid methyl esterThien-2-ylacetic acid methyl esterTHIOPHENE-2-ACETIC ACID METHYL ESTER

Methyl 2-thiopheneacetatemethyl 2-thiophen-2-ylacetateThiopheneacetic acid, methyl estermethyl 2-(2-thienyl)acetateMFCD00041213Methyl2-thienylacetatemethyl 2-(2 -thienyl)acetateAKOS005207229

Database identifiers

CAS: 19432-68-9
PubChem CID: 88055
DTXSID: DTXSID90173055
EC Number: 243-054-2
Nikkaji: J25.367G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

LogP1.51

Physicochemical properties

Boiling point: 50 °C0.06 · 50 °C0.06 mm Hg(lit.)
Density: 1.188 g/mL · 1.188 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.523
Flash point: 100 · 100-104°C/14mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Appearance: Light brown to brown Liquid
BRN: 120622 · 120622
InChI: InChI=1S/C7H8O2S/c1-9-7(8)5-6-3-2-4-10-6/h2-4H,5H2,1H3
InChIKey: KNKIXYMOHMYZJR-UHFFFAOYSA-N
SMILES: C1(CC(OC)=O)SC=CC=1
CAS DataBase Reference: 19432 · 19432-68-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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

Regulatory InformationStatus: Cease Manufacture Update: 11-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30037

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10-23
wgk: 3
hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Hazard statements: H335-H319-H315
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P