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BUTALBITAL

BUTALBITAL Structure
CAS No.
77-26-9
Chemical Name:
BUTALBITAL
Synonyms
D03182;Technal;Fioricet;Optalidon;Profundal;Sandoptal;Medigesic;Phrenilin;BUTALBITAL;Alisobumal
CBNumber:
CB4457316
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.26
MOL File:
77-26-9.mol
Modify Date:
2023/6/8 9:02:46

BUTALBITAL Properties

Melting point 139-140 °C
Boiling point 365.66°C (rough estimate)
Density 1.1672 (rough estimate)
refractive index 1.5000 (estimate)
Flash point 11 °C
storage temp. 2-8°C
solubility soluble in DMSO, Methanol
pka pKa 12.36±0.05(H2O t=38.0 I=0.1) (Uncertain)
form Solid
color White
Water Solubility 1.702g/L(25 ºC)
BRN 202119
EPA Substance Registry System 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propen-1-yl)- (77-26-9)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H317
Precautionary statements  P280-P301+P312+P330
Hazard Codes  Xn,T,F
Risk Statements  22-43-39/23/24/25-23/24/25-11
Safety Statements  36-45-36/37-16
RIDADR  UN 1230 3/PG 2
WGK Germany  3
RTECS  CP8750000
HazardClass  6.1(b)
PackingGroup  III
HS Code  2933530000
Toxicity LD50 oral in bird - wild: 75mg/kg
NFPA 704
3
0 0

BUTALBITAL Chemical Properties,Uses,Production

Chemical Properties

White, crystalline powder; odorless; slightly bitter taste. Soluble in alcohol, ether, and chloroform; almost insoluble in water.

Uses

Controlled substance (depressant). Sedative, hypnotic.

Definition

ChEBI: A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for reatment of pain and headache.

Purification Methods

It can be recrystallised from H2O or dilute EtOH, and sublimes at 100-120o/8-12mm. It is soluble in *C6H6, cyclohexane, tetralin and pet ether at 20o. [Butler et al. J Am Chem Soc 77 1486 1955, Beilstein 24 III/IV 2006.]

BUTALBITAL Preparation Products And Raw materials

Raw materials

Preparation Products

allylisobutylbarbiturate Allylisobutylbarbituric acid Butalbarbital component of Axocet component of Axotal component of Fiorinal Butalbital CIII (200 mg) 5-(2-Methylpropyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyriMidinetrione BUTALBITAL METHANOL SOLUTION BUTALBITAL--DEA SCHEDULE III ITEM BUTALBITAL, PHARMA Isobutylallylbarbituric acid iso-butylallylbarbituricacid Isobutylallylbarturic acid Itobarbital Optalidon Profundal Sandoptal Tetrallobarbital Allybarbituric acid Aspirin/Butalbital butalbital/acetominophen Fioricet Medigesic Phrenilin Technal Butalbital (base and/or unspecified salts) Butalbital solution BUTALBITAL,USP BARBITURICACID,5-ALLYL-5-ISOBUTYL- Butalbital (usp/inn) D03182 Sandoptal (tn) Methanol (test Butalbital,1.0mg/mL) 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)- BUTALBITAL 5-ALLYL-5-ISOBUTYLBARBITURIC ACID 5-allyl-5-(2’-methyl-n-propyl)barbituricacid 5-Allyl-5-(2'-methyl-n-propyl) barbituric acid 5-Allyl-5-(2-methylpropyl)barbituric acid 5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-allyl-5-isobutyl-barbituricaci 6(1h,3h,5h)-pyrimidinetrione,5-(2-methylpropyl)-5-(2-propenyl)-4 Alisobumal Allylbarbital Allylbarbitone Allylbarbituric acid allylbarbituricacid Allylisobutylbarbital 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione Butalbital (CRM) 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propen-1-yl)- BUTALBITAL USP/EP/BP 77-26-9 C4H9C3H5C4H2N2O3 BI - BZ Analytical Standards Alphabetic