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2020 China New Design Organic Resin - 2-Furil-metanale – Shuiyuan

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2020 China New Design Organic Resin - 2-Furil-metanale – Shuiyuan Detail:

Name

Furfural:2-Furil-metanale

EINECS

202-627-7

CAS No.

98-01-1

Density

1.145 g/cm3

Solubility

water: 8.3 g/100 mL

Melting Point

-36 °C(lit.)

Formula

C5H4O2

Boiling Point

161.799 °C at 760 mmHg

Molecular Weight

96.09

Flash Point

58.333 °C

Transport Information

UN 1199 6.1/PG 2

Appearance

colourless to reddish-brown oily liquid with almond odour

Safety

26-36/37/39-45-1/2

Risk Codes

21-23/25-36/37-40

Molecular Structure

Hazard Symbols

T,Xi

Synonyms

Pyromucic aldehyde;2-Furil-metanale [Italian];Bran oil;2-Furyl-methanal;Furyl-methanal;2-Furfural;Furfuraldehyde;Furol;Furfurol;Quakeral;2-Furanaldehyde;2-Furaldehyde;1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4;2-Furil-metanale;Furfurale [Italian];RCRA waste no. U125;2-Furancarbonal;furan-2-carbaldehyde;Furfural (natural);NCI-C56177;2-Furankarbaldehyd [Czech];EPA Pesticide Chemical Code 043301;FEMA No. 2489;RCRA waste number U125;2-Furylcarboxaldehyde;2-Formylfuran;Furancarbonal;Artificial oil of ants;Furfurale;5-17-09-00292 (Beilstein Handbook Reference);2-Furancarboxaldehyde;2-Formylofuran [Polish];Furaldehydes [UN1199] [Poison];Furfurylaldehyde;Furale;

Furfural History

In 1832, the German chemist Johann Wolfgang D?bereiner ,first isolated furfural ,he formed a very small quantity of it as a byproduct of formic acid synthesis.
In 1840, the Scottish chemist John Stenhouse found that the same chemical could be produced by distilling a wide variety of crop materials, including bran, corn, oats, and sawdust, with aqueous sulfuric acid, and he determined that this chemical had an empirical formula of C5H4O2.
In 1901, the German chemist Carl Harries deduced furfural’s structure.

Furfural Consensus Reports

NTP Carcinogenesis Studies (gavage); Clear Evidence: mouse NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NTP-TR-382,90, . , Some Evidence: rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NTP-TR-382 ,1990. . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Furfural Standards and Recommendations

OSHA PEL: TWA 2 ppm (skin)
ACGIH TLV: TWA 2 ppm (skin); Animal Carcinogen: BEI: 200 mg/g creatinine of total furoic acid in urine at end of shift
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
DOT Classification:  3; Label: Flammable Liquid

Furfural Analytical Methods

For occupational chemical analysis use OSHA: #ID-72 or NIOSH: Furfural, 2529.

Furfural Specification

Furfural is an heterocyclic aldehyde, with the ring structure shown at right. Its chemical formula is OC4H3CHO. It is a colorless oily liquid with the odor of almonds, but upon exposure to air samples quickly become yellow. With the CAS NO. 98-01-1, Furfural dissolves readily in most polar organic solvents, but is only slightly soluble in either water or alkanes. When heated above 250 °C, furfural decomposes into furan and carbon monoxide, sometimes explosively.

Physical properties Furfural are:
(1)ACD/LogP: 0.731; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 2.12; (5)ACD/BCF (pH 7.4): 2.12; (6)ACD/KOC (pH 5.5): 59.53; (7)ACD/KOC (pH 7.4): 59.53; (8)#H bond acceptors:2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.515; (11)Molar Refractivity: 25.305 cm3; (12)Molar Volume: 83.894 cm3; (13)Polarizability: 10.032 10-24cm3; (14)Surface Tension: 36.5740013122559 dyne/cm; (15)Density: 1.145 g/cm3; (16)Flash Point: 58.333 °C; (17)Enthalpy of Vaporization: 39.837 kJ/mol; (18)Boiling Point: 161.799 °C at 760 mmHg; (19)Vapour Pressure: 2.23399996757507 mmHg at 25°C

Preparation of Furfural:
Many plant materials contain the polysaccharide hemicellulose, a polymer of sugars containing five carbon atoms each. When heated with sulfuric acid, hemicellulose undergoes hydrolysis to yield these sugars, principally xylose. Under the same conditions of heat and acid, xylose and other five carbon sugars undergo dehydration, losing three water molecules to become furfural:
C5H10O→ C5H4O+ 3 H2O

Uses of Furfural:
Furfural is used as a solvent in petrochemical refining to extract dienes ( used to make synthetic rubber) from other hydrocarbons . Furfural also can be used either by themselves or in together with phenol, acetone, or urea to make solid resins. It is also used as a chemical intermediate in the production of the solvents furan and tetrahydrofuran.

Safety information of Furfural:
When you are using this chemical, please be cautious about it as the following:(1)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (2)Wear suitable protective clothing, gloves and eye/face protection; (3)In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); (4)Keep locked up and out of the reach of children;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H;
(2)InChIKey=HYBBIBNJHNGZAN-UHFFFAOYSA-N;
(3)Smilesc1(ccco1)C=O;

The toxiciy data of Furfural is as follows:

Organism

Test Type

Route

Reported Dose (Normalized Dose)

Effect

Source

dog

LC50

inhalation

370ppm/6H (370ppm)

“Toxicology of Drugs and Chemicals,” Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.

dog

LD50

intravenous

250mg/kg (250mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

dog

LD50

oral

950mg/kg (950mg/kg)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: ATAXIA

“Toxicology of Drugs and Chemicals,” Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.

dog

LD50

subcutaneous

214mg/kg (214mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

frog

LDLo

parenteral

23gm/kg (23000mg/kg)

Journal of Pharmacology and Experimental Therapeutics. Vol. 21, Pg. 65, 1923.

guinea pig

LD50

oral

541mg/kg (541mg/kg)

KIDNEY, URETER, AND BLADDER: “CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)”

LIVER: “HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL”

BLOOD: HEMORRHAGE

Hygiene and Sanitation Vol. 32(5), Pg. 158, 1967.

guinea pig

LDLo

subcutaneous

100mg/kg (100mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

human

TCLo

inhalation

310ug/m3 (.31mg/m3)

Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 26(6), Pg. 3, 1961.

mouse

LCLo

inhalation

370ppm/6H (370ppm)

“Toxicology of Drugs and Chemicals,” Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.

mouse

LD50

intraperitoneal

102mg/kg (102mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

mouse

LD50

intravenous

152mg/kg (152mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

mouse

LD50

oral

400mg/kg (400mg/kg)

Biochemical Journal. Vol. 34, Pg. 1196, 1940.

mouse

LD50

subcutaneous

119mg/kg (119mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

rabbit

LD50

intramuscular

78mg/kg (78mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

rabbit

LDLo

oral

800mg/kg (800mg/kg)

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

Journal of Pharmacology and Experimental Therapeutics. Vol. 21, Pg. 65, 1923.

rabbit

LDLo

skin

620mg/kg (620mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

rabbit

LDLo

subcutaneous

500mg/kg (500mg/kg)

Hygiene and Sanitation Vol. 32(5), Pg. 158, 1967.

rat

LC50

inhalation

175ppm/6H (175ppm)

American Industrial Hygiene Association Journal. Vol. 50, Pg. A359, 1989.

rat

LC50

inhalation

175ppm/6H (175ppm)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

American Industrial Hygiene Association Journal. Vol. 50, Pg. A359, 1989.

rat

LD50

intraperitoneal

20mg/kg (20mg/kg)

Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

rat

LD50

oral

65mg/kg (65mg/kg)

Bromatologia i Chemia Toksykologiczna. Vol. 13, Pg. 371, 1980.

rat

LD50

subcutaneous

148mg/kg (148mg/kg)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

“Toxicology of Drugs and Chemicals,” Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.

 

 

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