Basic information
- CAS
7499-04-9- Standard SMILES
O=C(O)CC1(O)CCCC1- InChIKey
DBPKXKVVVZWLEI-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 2-(1-Hydroxycyclopentyl)acetic acid
- IUPAC
- 2-(1-hydroxycyclopentyl)acetic acid
- English name
- 2-(1-hydroxycyclopentyl)acetic acid
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
2-(1-hydroxycyclopentyl)acetic acid7499-04-9DTXSID80324675RefChem:249764DTXCID60275792830-736-5Cyclopentaneacetic acid, 1-hydroxy-MFCD120254111-Hydroxycyclopentaneacetic acidNSC407516NCIOpen2_003695SCHEMBL2941358
Show more names
(hydroxycyclopentyl)acetic acid
hydroxycyclopentane-1-acetic acidDBPKXKVVVZWLEI-UHFFFAOYSA-N2-(1-hydroxycyclopentyl)aceticacidAKOS011681068NSC-407516(1-HYDROXYCYCLOPENTYL)ACETIC ACIDDB-180906EN300-80807
Database identifiers
- CAS
7499-04-9- PubChem CID
- 348266
- DTXSID
DTXSID80324675- EC Number
- 830-736-5
- Nikkaji
- J1.242.543K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 52.3 · 52.3-54.3 °C
- Boiling point
- 67 · 67-67.5 °C(Press: 0.7 Torr)
- Density
- 0.987 g/cm3 · 0.987 g/cm3(Temp: 25 °C)
- storage temp.
- Store at room temperature
- pka
- 4.72 · 4.72±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers9 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安徽合诺生物科技有限公司0555-2761852
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
1 records
Compound notes
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