CAS No.110-39-4,OCTYL BUTYRATE Suppliers

Products Categories

Pharmaceutical (18)
Organic Chemicals (8)
Others (6)
Catalyst and Auxiliary (3)
Reagent (1)
Food Additives (1)
Synthetic Flavours & Fragrances (1)

Basic Information

Molecular Structure:
CAS No.:	110-39-4
Name:	OCTYL BUTYRATE
Article Data:	19

Formula:	C₁₂H₂₄O₂
Molecular Weight:	200.321
Synonyms:	Butyricacid, octyl ester (6CI,7CI,8CI);1-Octyl butyrate;NSC 72032;Octyl butanoate;Octyl butyrate;n-Octyl butyrate;n-Octyl n-butyrate;
EINECS:	203-762-4
Density:	0.87 g/cm³
Melting Point:	-56 °C(lit.)
Boiling Point:	241.9 °C at 760 mmHg
Flash Point:	103.3 °C
Safety:	22-24/25
PSA:	26.30000
LogP:	3.69020

Total:36 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

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)

What can I do for you?
Get Best Price

Get Best Price for 110-39-4

Specification

The Butanoic acid, octylester, with the CAS registry number 110-39-4, is also known as 1-Octyl butyrate. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; O-P; Certified Natural Products Flavors and Fragrances. Its EINECS number is 203-762-4. This chemical's molecular formula is C₁₂H₂₄O₂ and molecular weight is 200.32. What's more, its systematic name is octyl butanoate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides, heat and fire. It is used as organic solvent. You should not breathe dust. When using it, you should avoid contacting with skin and eyes.

Physical properties of Butanoic acid, octylester are: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/BCF (pH 5.5): 3459; (5)ACD/KOC (pH 5.5): 11878.86; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 10; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.429; (11)Molar Refractivity: 59.41 cm³; (12)Molar Volume: 230 cm³; (13)Surface Tension: 29 dyne/cm; (14)Density: 0.87 g/cm³; (15)Flash Point: 103.3 °C; (16)Enthalpy of Vaporization: 47.89 kJ/mol; (17)Boiling Point: 241.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0349 mmHg at 25°C.

Preparation: this chemical can be prepared by butyraldehyde, octan-1-ol. This reaction will need reagent Br₂/Hexamethylphosphoramide (HMPT)/NaHCO₃ and solvent CH₂Cl₂, H₂O. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCOC(=O)CCC
(2)InChI: InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
(3)InChIKey: PWLNAUNEAKQYLH-UHFFFAOYSA-N