ChemicalBook--->CAS DataBase List--->61826-55-9

61826-55-9

61826-55-9 Structure

61826-55-9 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack 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 DataBack 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 DetailBack 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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