Basic information
- Name:
Cyclopropanecarboxylicacid, 1-phenyl-
- Superlist Name:
- 1-Phenyl-1-cyclopropanecarboxylic acid
- CAS No.:
6120-95-2
- Molecular Structure:
- Formula:
- C10H10 O2
- Molecular Weight:
- 162.19
- Synonyms:
- 1-Phenyl-1-cyclopropanecarboxylicacid; 1-Phenylcyclopropanecarboxylic acid; NSC 154619
- EINECS:
- 228-090-9
- Density:
- 1.266 g/cm3
- Melting Point:
- 85-87 °C(lit.)
- Boiling Point:
- 309.3 °C at 760 mmHg
- Flash Point:
- 141.2 °C
- Appearance:
- white to tan powder
- Safety Description:
- 24/25 Details
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Chemistry
Molecule structure of 1-Phenyl-1-cyclopropanecarboxylic acid (CAS NO.6120-95-2):
IUPAC Name: 1-Phenylcyclopropane-1-carboxylic acid
Molecular Weight: 162.1852 [g/mol]
Molecular Formula: C10H10O2
Index of Refraction: 1.608
Molar Refractivity: 44.292 cm3
Molar Volume: 128.104 cm3
Surface Tension: 57.56 dyne/cm
Density: 1.266 g/cm3
Melting Point: 85-87 °C(lit.)
Flash Point: 141.237 °C
Enthalpy of Vaporization: 58.082 kJ/mol
Boiling Point: 309.345 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
XLogP3-AA: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 162.06808
MonoIsotopic Mass: 162.06808
Topological Polar Surface Area: 37.3
Heavy Atom Count: 12
Complexity: 188
Canonical SMILES: C1CC1(C2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C10H10O2/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey: IWWCCNVRNHTGLV-UHFFFAOYSA-N
EINECS: 228-090-9
Product Categories of 1-Phenyl-1-cyclopropanecarboxylic acid (CAS NO.6120-95-2): Carboxylic Acids; Carboxylic Acids; Ring Systems; C10; Carbonyl Compounds
Safety Profile
Hazard Codes: 
Xi
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
HazardClass: IRRITANT
Specification
1-Phenyl-1-cyclopropanecarboxylic acid (CAS NO.6120-95-2) is also called 1-Phenylcyclopropanecarboxylic acid ; Cyclopropanecarboxylicacid, 1-phenyl- ; 1-Phenylcyclopropanecarboxylic acid ; NSC 154619 . 1-Phenyl-1-cyclopropanecarboxylic acid (CAS NO.6120-95-2) is white to beige crystals, crystalline powder.
