CAS 2434-00-6 2-(Oxolan-2-yl)acetic acid (HCID 228726)

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Basic information

CAS: 2434-00-6
Standard SMILES: O=C(O)CC1CCCO1
InChIKey: IEDVQOXHVRVPIX-UHFFFAOYSA-N
Molecular formula: C6H10O3
Average molar mass: 130.14 g/mol
Monoisotopic mass: 130.06299418

Names & identifiers

Preferred name: 2-(Oxolan-2-yl)acetic acid
IUPAC: 2-(oxolan-2-yl)acetic acid
English name: 2-(oxolan-2-yl)acetic acid
Molecular formula: C6H10O3
Molecular weight: 130.14

Names & synonyms

2-(oxolan-2-yl)acetic acidRefChem:461689827-176-92434-00-62-(tetrahydrofuran-2-yl)acetic acid2-tetrahydrofuran-2-ylacetic acidtetrahydrofuran-2-ylacetic acidTetrahydro-2-furanylacetic acidMFCD039905662-Furanacetic acid, tetrahydro-2-(2-tetrahydrofuranyl)acetic acidNSC21831

Show more names

2-(2-oxolanyl)acetic acid22-(oxolan-2-yl)acetic acid(2S)-oxolan-2-ylacetic acidtetrahydro-2-furylacetic acid

2-oxolan-2-ylacetic acidtetrahydrofuran-acetic acidrac-tetrahydrofuran-2-ylacetic acidGEO-03426Tetrahydro-2-furanacetic acid2-(tetrahydrofuryl)acetic acid2-furanacetic acid,tetrahydro-2-(oxolan-2-yl)ethanoic acid

Database identifiers

CAS: 2434-00-6
PubChem CID: 228726
DTXSID: DTXSID00281498
EC Number: 827-176-9
Nikkaji: J316.282F

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 111

Physicochemical properties

Boiling point: 144 · 144-146 °C(Press: 16 Torr)
Density: 1.1468 g/cm3 · 1.1468 g/cm3
storage temp.: 2 · 2-8°C
form: solid
pka: 4.36 · 4.36±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C6H10O3/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)
InChIKey: IEDVQOXHVRVPIX-UHFFFAOYSA-N
SMILES: O1CCCC1CC(O)=O
UNSPSC Code: 12352106 · 12352106
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany: 3 · WGK 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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]

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.