Basic information
- CAS
320601-71-6- Standard SMILES
O=C(O)CCC1CCOC1- InChIKey
BDSWHYOGIBXFJX-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 3-(Oxolan-3-yl)propanoic acid
- IUPAC
- 3-(oxolan-3-yl)propanoic acid
- English name
- tetrahydro-3-Furanpropanoic acid
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
320601-71-63-(oxolan-3-yl)propanoic acidRefChem:495784846-883-33-(Tetrahydrofuran-3-yl)propanoic acidMFCD16707069tetrahydro-3-Furanpropanoic acid3-Furanpropanoic acid, tetrahydro-NSC139702SCHEMBL2195114BDSWHYOGIBXFJX-UHFFFAOYSA-NVMA60171
Show more names
3-(Oxolan-3-Yl)Propanoic Acid(WX611120)
3-(3-Tetrahydrofuryl)propanoic Acid3-tetrahydrofuran-3-ylpropanoic acid3-(Tetrahydrofuran-3-yl)propanoicacidAKOS008152911NSC-1397023-(Tetrahydro-3-furanyl)propanoic acid3-(tetrahydro-3-furanyl)propionic acidAS-61940
Database identifiers
- CAS
320601-71-6- PubChem CID
- 284090
- EC Number
- 846-883-3
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 281.9 · 281.9±13.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.7 · 4.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers16 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海途志化工有限公司19542790274 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
上海智乾生物科技有限公司[email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
6 records
Compound notes
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