Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Cycloheptaneacetic acid

Related Products

Hot Products

Name

Cycloheptaneacetic acid

EINECS -0
CAS No. 4401-20-1 Density 0.998 g/cm3
PSA 37.30000 LogP 2.43150
Solubility N/A Melting Point 14-15 °C
Formula C9H16O2 Boiling Point 268.7 °C at 760 mmHg
Molecular Weight 156.225 Flash Point 133.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4401-20-1 (CYCLOHEPTYLACETIC ACID) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

Cycloheptylaceticacid;NSC 18970;

Article Data 8

Cycloheptaneacetic acid Specification

The Cycloheptaneacetic acid, with the CAS registry number of 4401-20-1, is also known as Cycloheptylaceticacid. This chemical's molecular formula is C9H16O2 and molecular weight is 156.22. What's more, its IUPAC name is 2-Cycloheptylacetic acid. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at 2-8 °C. Meanwhile, it should be avoided contact with light.

Physical properties about Cycloheptaneacetic acid are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 12.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 124.73; (8)ACD/KOC (pH 7.4): 1.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 43.17 cm3; (15)Molar Volume: 156.3 cm3; (16)Surface Tension: 37.1 dyne/cm; (17)Density: 0.998 g/cm3; (18)Flash Point: 133.2 °C; (19)Enthalpy of Vaporization: 55.79 kJ/mol; (20)Boiling Point: 268.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00215 mmHg at 25 °C.

Preparation: this chemical is prepared by Diazoacetylcycloheptane. The reaction needs reagent Rh2(OCOCH3)4 and solvent CH2Cl2. The reaction time is 5 hours. The yield is about 45 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC1CCCCCC1
(2) InChI: InChI=1/C9H16O2/c10-9(11)7-8-5-3-1-2-4-6-8/h8H,1-7H2,(H,10,11)
(3) InChIKey: DQNWKASPZFJVMJ-UHFFFAOYAP

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 4401-20-1