CAS No.3068-88-0,Beta-Butyrolactone Suppliers,MSDS download

Products Categories

Pharmaceutical (44)
Organic Chemicals (13)
Others (12)
Reagent (3)

Basic Information

Molecular Structure:
CAS No.:	3068-88-0
Name:	Beta-Butyrolactone
Article Data:	46

Formula:	C₄H₆O₂
Molecular Weight:	86.0904
Synonyms:	4-methyloxetan-2-one;4-Methyl-2-oxetanone;
EINECS:	253-093-7
Density:	1.097 g/cm³
Melting Point:	- 43.5 °C(lit.)
Boiling Point:	163.156 °C at 760 mmHg
Flash Point:	34.058 °C
Solubility:	132.7g/L(18 oC)
Appearance:	colourless liquid
Hazard Symbols:	Xn
Risk Codes:	36/38-40
Safety:	26-36
Transport Information:	UN 1993 3/PG 3
PSA:	26.30000
LogP:	0.32180

Total:66 Page 1 of 2 1 2 Next>>

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 3068-88-0

Consensus Reports

IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 11 (1976),p. 225.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

Specification

The β-Butyrolactone, with the CAS registry number 3068-88-0 and EINECS registry number 253-093-7, has the systematic name of 4-methyloxetan-2-one. And the molecular formula of this chemical is C₄H₆O₂. It is a kind of colourless liquid, and belongs to the following product categories: Oxetanes; Simple 4-Membered Ring Compounds.

The physical properties of β-Butyrolactone are as following: (1)ACD/LogP: -0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.84; (4)ACD/LogD (pH 7.4): -0.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.36; (8)ACD/KOC (pH 7.4): 8.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 20.27 cm³; (15)Molar Volume: 78.5 cm³; (16)Polarizability: 8.03×10^-24cm³; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 1.096 g/cm³; (19)Flash Point: 34.1 °C; (20)Enthalpy of Vaporization: 39.97 kJ/mol; (21)Boiling Point: 163.2 °C at 760 mmHg; (22)Vapour Pressure: 2.09 mmHg at 25°C.

Preparation of β-Butyrolactone: This chemical can be prepared by acetaldehyde and ketene. The reaction will need reagents boron fluoride and diethyl ether.

β-Butyrolactone can be prepared by acetaldehyde and ketene

Uses of β-Butyrolactone: It can react with methoxymethyl-oxirane to produce 4-methoxymethyl-[1,3]dioxolan-2-one and propene. This reaction will need catalyst TBAB, and the solvent toluene. The reaction time is 15 hours with temperature of 100°C, and the yield is about 96.1%.

β-Butyrolactone can react with methoxymethyl-oxirane to produce 4-methoxymethyl-[1,3]dioxolan-2-one and propene

You should be cautious while dealing with this chemical. It irritates eyes and skin. And there's limited evidence of a carcinogenic effect. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting 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=C1OC(C)C1
(2)InChI: InChI=1/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
(3)InChIKey: GSCLMSFRWBPUSK-UHFFFAOYAG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 20mL/kg (20mL/kg)		Union Carbide Data Sheet. Vol. 1/20/1966,
rat	LD50	oral	17200uL/kg (17.2mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.