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Basic information

  • Name:
  • 1,2,3-Propanetriol

  • Superlist Name:
  • Glycerol
  • CAS No.:
  • 56-81-5

  • Formula:
  • C3H5(OH)3
  • Synonyms:
  • Glycerol (8CI);Propanetriol (7CI);1,2,3-Trihydroxypropane;E 422;Emery 916;Emery 917;G 101;GL 300;Glyceol Opthalgan;Glycerin;Glycerin DG;Glycerine;Glycyl alcohol;Glyrol;Glysanin;IFP;Incorporationfactor;Mackstat H 66;NSC 9230;Osmoglyn;Pricerine 9088;Pricerine 9091;Trihydroxypropane;Glycerol;

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Specification

The IUPAC name of Glycerol is propane-1,2,3-triol. With the CAS registry number 56-81-5, it is also named as 1,2,3-Propanetriol. The product's categories are Biochemistry; Reagents for Electrophoresis; Matrix Materials (FABMS & liquid SIMS); Analytical Chemistry; Mass Spectrometry, and the other registry numbers are 29796-42-7; 30049-52-6; 37228-54-9; 75398-78-6; 78630-16-7; 8013-25-0. Besides, it is colorless to brown colored liquid, which should be stored in sealed, clean and dry place at 2-8 °C. And it is stable, but incompatible with perchloric acid, lead oxide, acetic anhydride, nitrobenzene, chlorine, peroxides, strong acids, strong bases. In addition, its molecular formula is C3H8O3 and molecular weight is 92.09.

The other characteristics of this product can be summarized as: (1)EINECS: 200-289-5; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.347; (6)ACD/KOC (pH 7.4): 2.347; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.49; (11)Molar Refractivity: 20.511 cm3; (12)Molar Volume: 70.95 cm3; (13)Surface Tension: 61.991 dyne/cm; (14)Density: 1.298 g/cm3; (15)Flash Point: 160 °C; (16)Melting point: 18 °C; (17)Water solubility: >500 g/L (20 °C); (18)Enthalpy of Vaporization: 61.422 kJ/mol; (19)Boiling Point: 289.999 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Glycerol: this chemical can be prepared by saponification of fats, e.g. a byproduct of soap-making.

Uses of Glycerol: this chemical is used as a humectant, solvent and sweetener, and may help preserve foods in foods and beverages. And it can be used  as emulsifiers to manufacture mono- and di-glycerides, as well as polyglycerol esters going into shortenings and margarine. Additionally, it is used as a humectant in the production of snus, in medical and pharmaceutical and personal care preparations. It is also used as a tablet holding agent in solid dosage forms like tablets. And it can be used orally to eliminate halitosis, as it is a contact bacterial desiccant. Furthermore, it has been used as a substitute for ethanol as a solvent in preparing herbal extractions. It is a common component of solvents for enzymatic reagents in the laboratory. It is also used to produce nitroglycerin, or glycerol-trinitrate.

When you are using this chemical, please be cautious about it as the following: it is highly Flammable. It is also harmful by inhalation, in contact with skin and if swallowed. And it is irritating to the eyes.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should wear eye/face protection. And please avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C(C(CO)O)O
(2)InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
(3)InChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 7750mg/kg (7750mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
human TDLo oral 1428mg/kg (1428mg/kg) BEHAVIORAL: HEADACHE

GASTROINTESTINAL: NAUSEA OR VOMITING
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 288, 1969.
mouse LD50 intraperitoneal 8700mg/kg (8700mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1579, 1978.
mouse LD50 intravenous 4250mg/kg (4250mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 583, 1950.
mouse LD50 oral 4090mg/kg (4090mg/kg)   Farmatsevtichnii Zhurnal Vol. (6), Pg. 56, 1977.
mouse LD50 subcutaneous 91mg/kg (91mg/kg)   Drugs in Japan Vol. 6, Pg. 215, 1982.
rabbit LD50 intravenous 53gm/kg (53000mg/kg)   Drugs in Japan Vol. 6, Pg. 215, 1982.
rabbit LD50 oral 27gm/kg (27000mg/kg)   Delaware State Medical Journal. Vol. 31, Pg. 276, 1959.
rabbit LD50 skin > 10gm/kg (10000mg/kg)   BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 9-4/1970,
rat LC50 inhalation > 570mg/m3/1H (570mg/m3)   BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 9-4/1970,
rat LD50 intraperitoneal 4420mg/kg (4420mg/kg) BEHAVIORAL: TOXIC PSYCHOSIS

CARDIAC: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Research Communications in Chemical Pathology and Pharmacology. Vol. 56, Pg. 125, 1987.
rat LD50 intravenous 5566mg/kg (5566mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1581, 1976.
rat LD50 oral 12600mg/kg (12600mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: MUSCLE WEAKNESS

LIVER: OTHER CHANGES
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 4, Pg. 142, 1945.
rat LD50 subcutaneous 100mg/kg (100mg/kg)   Drugs in Japan Vol. 6, Pg. 215, 1982.
rat LDLo intramuscular 10mg/kg (10mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION
Nephron. Vol. 20, Pg. 47, 1978.

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