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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 59123789Generated: November 4, 2026

3,3-Dimethyl-2-(2-phenylethyl)butanoic acid

https://huagongshe.com/en/chemical/59123789

3,3-Dimethyl-2-(2-phenylethyl)butanoic acid molecular structure

Identifiers & Physical Properties

CAS No.1548835-38-6
Molecular formulaC14H20O2
Average molar mass220.31 g/mol
Monoisotopic mass220.14632988 g/mol
SMILESCC(C)(C)C(CCc1ccccc1)C(=O)O
InChIKeyMIBRENCLUDWZDQ-UHFFFAOYSA-N
PubChem CID59123789
EC No.896-015-2

Chemical & Physical Properties

XLogP3.8
Topological polar surface area37.3
Hydrogen bond donors1
Hydrogen bond acceptors2
Rotatable bonds5
Heavy atoms16
Formal charge0
Complexity221

Safety & Regulations

GHS classificationWarningH315 (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 Classes and CategoriesSkin Irrit. 2 (100%)