CAS 943-45-3 Fibric acid (HCID 70343)

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Basic information

CAS: 943-45-3
Standard SMILES: CC(C)(Oc1ccccc1)C(=O)O
InChIKey: ILPUOPPYSQEBNJ-UHFFFAOYSA-N
Molecular formula: C10H12O3
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.07864424

Names & identifiers

Preferred name: Fibric acid
IUPAC: 2-methyl-2-phenoxypropanoic acid
English name: 2-Methyl-2-phenoxy-propionic acid
Molecular formula: C10H12O3
Molecular weight: 180.2

Names & synonyms

943-45-3Phenoxyisobutyric acidfibric acid2-Phenoxyisobutyric acid2-Methyl-2-phenoxypropionic acid2-phenoxy-2-methylpropionic acidDTXSID40241410NSC-340106848ST447Qmethyl-2-phenoxypropanoic acidRefChem:140387DTXCID40163901

Show more names

AKOS B0139082-PHENOXY-PROPIONICCHEMBRDG-BB 3013908ART-CHEM-BB B0139082-PHENOXY ISOBUTYRIC ACID2-methyl-2-phenoxypropanoicaci2-methyl-2-phenoxy-propionicaci

213-402-82-methyl-2-phenoxypropanoic acid2-methyl-2-phenoxy-propanoic acid2-Methyl-2-phenoxy-propionic acidMFCD00129939Propanoic acid, 2-methyl-2-phenoxy-2-phenoxy-2-methylpropanoic acidEINECS 213-402-8

Database identifiers

CAS: 943-45-3
PubChem CID: 70343
DTXSID: DTXSID40241410
UNII: 6848ST447Q
EC Number: 213-402-8
Nikkaji: J298.547K

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 181

Physicochemical properties

Melting point: 98 to · 98.0 to 102.0 °C
Boiling point: 289.3 · 289.3±13.0 °C(Predicted)
Density: 1.143 · 1.143±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 3.26 · 3.26±0.10(Predicted)
color: White to Orange to Green
Water Solubility: 1000 g/L · 1000g/L at 25℃
EWG's Food Scores: 1 · 1
FDA UNII: 6848 ST447Q · 6848ST447Q
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 3 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；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.