2-(Oxolan-3-yl)acetic acid

HCID 4244905

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Basic information

CAS: 138498-97-2
Standard SMILES: O=C(O)CC1CCOC1
InChIKey: JSWKBJIKVSXWDJ-UHFFFAOYSA-N
Molecular formula: C6H10O3
Average molar mass: 130.14 g/mol
Monoisotopic mass: 130.06299418

Names & identifiers

Preferred name: 2-(Oxolan-3-yl)acetic acid
IUPAC: 2-(oxolan-3-yl)acetic acid
English name: (Tetrahydro-furan-3-yl)-acetic acid
Molecular formula: C6H10O3
Molecular weight: 130.14

Names & synonyms

2-(oxolan-3-yl)acetic AcidRefChem:461704837-930-9138498-97-22-(tetrahydrofuran-3-yl)acetic acid(TETRAHYDROFURAN-3-YL)ACETIC ACID(Tetrahydro-furan-3-yl)-acetic acid3-FURANACETIC ACID, TETRAHYDRO-MFCD06411265Tetrahydro-3-furanacetic acid(Oxolan-3-yl)acetic acidtetrahydrofuran-3-ylacetic acid

Show more names

TETRAHYDRO-3-FURANYLACETICACID2,4-triazol-2-(tetrahydrofuran-3-yl)acetic acid3-yl)methanamine

2-tetrahydrofuran-3-ylacetic acid2-(tetrahydrofuran-3-yl)aceticacidtetrahydro-3-furylacetic acidSCHEMBL628315SCHEMBL21541634DTXSID60401155JSWKBJIKVSXWDJ-UHFFFAOYSA-N(Tetrahydrofuran-3-yl)-acetic acid

Database identifiers

CAS: 138498-97-2
PubChem CID: 4244905
DTXSID: DTXSID60401155
EC Number: 837-930-9

Properties

Computed structural properties

XLogP: 0
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: 271.4 · 271.4±13.0 °C(Predicted)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.58 · 4.58±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2932190090 · 2932190090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

Safety data

hs_code: 2932190090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Suppliers86 total

广州诚创生物科技有限公司18027266590 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

3 records

New reaction record

HRID 535513As reactantuspto-grants-2014_10

HRID 535514As reactantuspto-grants-2014_10

HRID 541245As reactantuspto-grants-2014_10

Compound notes

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