Guaifenesin

Names

[ CAS No. ]:
93-14-1

[ Name ]:
Guaifenesin

[Synonym ]:
Resyl
gge
EINECS 202-222-5
Guaifensin
2/G
MFCD00016873
guaiphenesin
guaiacol glyceryl ether
Resil
Dilyn
glycerol guaiacolate
Gvaja
G 87
my301

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
356.8±27.0 °C at 760 mmHg

[ Melting Point ]:
77-81 °C

[ Molecular Formula ]:
C₁₀H₁₄O₄

[ Molecular Weight ]:
198.216

[ Flash Point ]:
169.6±23.7 °C

[ Exact Mass ]:
198.089203

[ PSA ]:
58.92000

[ LogP ]:
0.57

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.538

[ Storage condition ]:
Refrigerator

[ Water Solubility ]:
5 g/100 mL (25 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY8400000

CHEMICAL NAME :: 1,2-Propanediol, 3-(o-methoxyphenoxy)-

CAS REGISTRY NUMBER :: 93-14-1

BEILSTEIN REFERENCE NO. :: 2049375

LAST UPDATED :: 199701

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C10-H14-O4

MOLECULAR WEIGHT :: 198.24

WISWESSER LINE NOTATION :: Q1YQ1OR BO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1510 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 1,413,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex)

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 191,147,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2550 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,210,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 360 mg/kg

TOXIC EFFECTS :: Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Kidney, Ureter, Bladder - hematuria

REFERENCE :: PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 85,323,1954

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4 gm/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,429,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 690 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,398,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 495 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,398,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,1355,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,429,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2210 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,429,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 335 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 54,688,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2553 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ATHPAB Applied Therapeutics. (Seccombe House Unlimited, Toronto, Canada) V.2(9)-12, 1960-70. Volume(issue)/page/year: 9,55,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80423 No. of Facilities: 4214 (estimated) No. of Industries: 5 No. of Occupations: 24 No. of Employees: 21971 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80423 No. of Facilities: 512 (estimated) No. of Industries: 5 No. of Occupations: 13 No. of Employees: 25427 (estimated) No. of Female Employees: 21545 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
TY8400000

[ HS Code ]:
2909499000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Guaiacol glycidyl ether
Guaiacol
3-Chloro-1,2-propanediol
Glycidol
sodium 2-methoxyphenolate
methocarbamol
1,2-Benzenediol
Epichlorohydrin
Methyl bromide
3-(2-Hydroxyphenoxy)-1,2-propanediol

DownStream

rac Guaifenesin Cyclic Carbonate
3-(2-Hydroxyphenoxy)-1,2-propanediol
2-(2-Methoxyphenoxy)acetaldehyde
2-hydroxy-3-(2-methoxyphenoxy)propanoic acid
mephenoxalone
3-(Phenylthio)-1,2-propanediol
3-benzylsulfanylpropane-1,2-diol

Customs

[ HS Code ]: 2909499000

[ Summary ]:
2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Treatment of immune-mediated keratitis in horses with episcleral silicone matrix cyclosporine delivery devices.

Vet. Ophthalmol. 17 Suppl 1 , 23-30, (2014)

To describe the use of episcleral silicone matrix cyclosporine (ESMC) drug delivery devices in horses with immune-mediated keratitis (IMMK) with evaluation of tolerability and efficacy in long-term co...

Experiment and modeling for the separation of guaifenesin enantiomers using simulated moving bed and Varicol units.

J. Chromatogr. A. 1363 , 242-9, (2014)

The separation of guaifenesin enantiomers by both simulated moving bed (SMB) process and Varicol process was investigated experimentally and theoretically, where the columns were packed with cellulose...

Solubility and some crystallization properties of conglomerate forming chiral drug guaifenesin in water.

J. Pharm. Sci. 103(10) , 3176-82, (2014)

The solubility of 3-(2-methoxyphenoxy)-propane-1,2-diol, the well-known chiral drug guaifenesin 1, in water has been investigated by means of polythermal and isothermal approaches. It was found that t...

Guaifenesin
Guaifenesin-d5
(S)-Guaifenesin
rac Guaifenesin-d3
guaifenesin carbamate
Guaifenesin EP Impurity C
2-Bromo-3-[(piperidin-3-yl)methyl]pyridine
6-Fluoro-4-(trifluoromethyl)nicotinic acid
4-Iodo-6-(trifluoromethyl)nicotinaldehyde
3-Chloro-2-methyl-5-nitrobenzaldehyde
1-Chloro-2-fluoro-4-methyl-3-nitrobenzene
5-Cyano-2,4-difluorobenzenesulfonyl chloride
Methyl 3-cyano-2,4-difluorobenzoate
5-Bromo-[1,3]oxazolo[4,5-B]pyridine-2-carboxylic acid
1-Propanone, 2-bromo-1-[2-chloro-3-(fluoromethyl)phenyl]-
1-(2-Bromo-3-hydroxyphenyl)-2-chloroethan-1-one

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