Basic information
- CAS
5416-03-5- Standard SMILES
CCCCCOCC(=O)O- InChIKey
YIKIRNROKVZLML-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- 2-(Pentyloxy)acetic acid
- IUPAC
- 2-pentoxyacetic acid
Names & synonyms
2-(pentyloxy)acetic acidRefChem:461758828-649-25416-03-52-pentoxyacetic acidAcetic acid, (pentyloxy)-Pentyloxyacetic acid(PENTYLOXY)ACETIC ACIDpentoxyacetic acid2-(pentyloxy)aceticacidSCHEMBL458436SCHEMBL9122483
Show more names
SCHEMBL17351008DTXSID60202503NSC11331NSC 11331NSC-11331AKOS005287766EN300-59943Z409357548
Database identifiers
- CAS
5416-03-5- PubChem CID
- 94969
- DTXSID
DTXSID60202503- EC Number
- 828-649-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.9
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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