61826-55-9

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61826-55-9 Structure

Identification	Back Directory
[Name] PINONIC ACID
[CAS] 61826-55-9
[Synonyms] AKOS BB-9735 PINONIC ACID CIS-PINONIC ACID cis-Pinonic acid,98% cis-Pinonic acid 98% LABOTEST-BB LT00012631 2-(3-Acetyl-2,2-dimethylcyclobutyl) CIS-3-ACETYL-2,2-DIMETHYL-CYCLOBUTANEACETIC ACID
[Molecular Formula] C10H16O3
[MDL Number] MFCD00066726
[MOL File] 61826-55-9.mol
[Molecular Weight] 184.23

Chemical Properties	Back Directory
[Appearance] WHITE TO SLIGHTLY YELLOW CRYSTALLINE SOLID
[Melting point ] 104-107 °C(lit.)
[Boiling point ] 258.19°C (rough estimate)
[density ] 1.0655 (rough estimate)
[refractive index ] 1.5230 (estimate)
[form ] solid
[pka] 4.72±0.10(Predicted)
[InChI] 1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
[InChIKey] SIZDUQQDBXJXLQ-SFYZADRCSA-N
[SMILES] CC(=O)[C@@H]1C[C@H](CC(O)=O)C1(C)C
[EPA Substance Registry System] Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, (1R,3R)-rel- (61826-55-9)

Hazard Information	Back Directory
[Chemical Properties] WHITE TO SLIGHTLY YELLOW CRYSTALLINE SOLID
[Uses] cis-Pinonic acid undergoes oxidation to produce secondary organic aerosol (SOA).
[General Description] cis-Pinonic acid undergoes oxidation to produce secondary organic aerosol (SOA).

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] 36/37/38
[Safety Statements ] 26-36
[WGK Germany ] 3
[HS Code ] 29183000
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Spectrum Detail	Back Directory
[Spectrum Detail] PINONIC ACID(61826-55-9)MS PINONIC ACID(61826-55-9)¹HNMR PINONIC ACID(61826-55-9)¹³CNMR PINONIC ACID(61826-55-9)IR PINONIC ACID(61826-55-9)Raman

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