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

Cyclohexanebutyric acid

Related Products

Hot Products

Name

Cyclohexanebutyric acid

EINECS 224-665-3
CAS No. 4441-63-8 Density 0.991 g/cm3
PSA 37.30000 LogP 2.82160
Solubility N/A Melting Point 30-32 °C(lit.)
Formula C10H18O2 Boiling Point 283.3 °C at 760 mmHg
Molecular Weight 170.252 Flash Point 138.9 °C
Transport Information N/A Appearance white semi-transparent crystalline solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4441-63-8 (4-CYCLOHEXYLBUTYRIC ACID) Hazard Symbols IrritantXi
Synonyms

Cyclohexanebutyricacid (6CI,7CI,8CI);4-Cyclohexylbutanoic acid;4-Cyclohexylbutyric acid;NSC2158;NSC 406925;

Article Data 20

Cyclohexanebutyric acid Specification

The IUPAC name of this chemical is 4-cyclohexylbutanoic acid. With the CAS registry number 4441-63-8, it is also named as 4-Cyclohexylbutyric acid. In addition, the formula is C10H18O2 and the molecular weight is 170.25. This chemical is white semi-transparent crystalline solid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 38.33; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 290.36; (8)ACD/KOC (pH 7.4): 4.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 47.82 cm3; (15)Molar Volume: 171.6 cm3; (16)Surface Tension: 37.8 dyne/cm; (17)Enthalpy of Vaporization: 57.46 kJ/mol; (18)Vapour Pressure: 0.000831 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Exact Mass: 170.13068; (21)MonoIsotopic Mass: 170.13068; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 12; (24)Complexity: 137.

Preparation of Cyclohexanebutyric acid: It can be obtained by 4-cyclohexyl-butyric acid 2,2,2-trichloro-ethyl ester. This reaction needs reagents NaBH4, Te and solvent dimethylformamide at ambient temperature. The yield is 94%.

Uses of Cyclohexanebutyric acid: It can react with benzophenone hydrazone to get 4-cyclohexyl-butyric acid benzhydryl ester. This reaction needs reagent oxone/wet alumina, iodine and solvent CH2Cl2 at temperature of 0 °C. The reaction time is 10.5 hours. The yield is 75%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)CCCC1CCCCC1
2. InChI:InChI=1/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12) 
3. InChIKey:UVZMNGNFERVGRC-UHFFFAOYAN

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 4441-63-8