Pharmaceutical Materials

CAS Number: 96-47-9

Molecular Formula: C5H10O

Molecular Weight: 86.13

Appearance: Colorless volatile liquid with an ether-like odor

Melting Point: -136°C

Boiling Point: Not available

Density: Slightly soluble in water, miscible with organic solvents Usage: Important organic synthesis intermediate and solvent.

96-47-9 – Names and Identifiers

Name	2-Methyltetrahydrofuran
Synonyms	2-Methyltetrahydrofu 2-Methyltetrahydrofuran tetrahydro-2-methylfuran alpha-Methyltetrahydrofuran (2R)-2-methyltetrahydrofuran 2-Methyltetrahydrofuran,Tetrahydro-2-methylfuran, Tetrahydrosilvan 2-Methyltetrahydrofuran,For Grignard reaction,anhydrous, stabilized
CAS	96-47-9
EINECS	202-507-4
InChI	InChI=1/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m1/s1

96-47-9 – Physico-chemical Properties

Molecular Formula	C5H10O
Molar Mass	86.13
Density	0.86g/mLat 25°C(lit.)
Melting Point	-136 °C
Boling Point	78-80°C(lit.)
Flash Point	10.4°F
Water Solubility	15 g/100 mL (25 C)
Solubility	150g/l
Vapor Presure	136 hPa (20 °C)
Appearance	Liquid
Color	Clear colorless
BRN	102448
Storage Condition	Store below +30°C.
Stability	Stable, but highly flammable. Incompatible with oxidizing agents, strong acids, strong bases. May form explosive peroxides in storage, so often supplied with an inhibitor added.
Explosive Limit	1.2-5.7%(V)
Refractive Index	n20/D 1.406(lit.)
Physical and Chemical Properties	Character: colorless liquid. Has an ether-like odor. boiling point 80 ℃ freezing point -136 ℃ relative density 0.8552 refractive index 1.4025 flash point -11 ℃ solubility soluble in water, the solubility in water increases with decreasing temperature. Soluble in ethanol, ether, acetone, benzene and chloroform and other organic solvents.
Use	For pharmaceutical chloroquine phosphate intermediates

96-47-9 – Risk and Safety

Risk Codes	R11 – Highly Flammable R19 – May form explosive peroxides R36/37 – Irritating to eyes and respiratory system. R2017/11/19 –
Safety Description	S16 – Keep away from sources of ignition. S23 – Do not breathe vapour. S39 – Wear eye / face protection. S33 – Take precautionary measures against static discharges. S26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDs	UN 2536 3/PG 2
WGK Germany	2
RTECS	LU2800000
TSCA	Yes
HS Code	29321900
Hazard Class	3
Packing Group	II
Toxicity	LD50 orally in Rabbit: > 300 – 2000 mg/kg LD50 dermal Rat > 2000 mg/kg

96-47-9 – Nature

Reference Information

freezing point	-136 ℃
Dielectric constant	6.97
LogP	1.1 at 20℃
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Overview	2-methyltetrahydrofuran (hereinafter referred to as 2-me-thf) is an important bio-gasoline fuel, high-end environmentally friendly solvents and chemical intermediates. When used as a bio-gasoline fuel, it can be miscible with gasoline in any proportion and has excellent oxidation and vapor pressure properties.
Application	2-methyltetrahydrofuran (hereinafter referred to as 2-MeTHF) is an important organic synthesis intermediate and solvent, it is a fine chemical material in the field of new materials and applications. In organic synthesis, it is mainly used in the synthesis of chloroquine phosphate, primaquine phosphate and thiamine. It is mainly used for organic synthesis of resin, natural rubber, ethyl cellulose and chloroacetic acid-vinyl acetate copolymer in solvent application.
purpose	mainly used for resin, rubber, solvent such as ethyl cellulose for pharmaceutical chloroquine phosphate intermediate mainly used as solvent for resin, natural rubber, ethyl cellulose and chloroacetic acid-vinyl acetate copolymer, in the pharmaceutical industry for the synthesis of anti-disease drugs such as primaquine phosphate. used as raw materials for the synthesis of drugs such as chloroquine phosphate and primaquine phosphate, and can also be used as solvent
production method	is obtained by catalytic hydrogenation of 2-methylfuran. When a palladium chloride catalyst is used for the catalytic hydrogenation reaction, the main product is acetyl propanol (see 00420), but 2-methyltetrahydrofuran, a by-product, can also be recovered.
category	flammable liquid
toxicity grade	poisoning
Acute toxicity	inhalation-rat 6000 PPM/ 4 H; Subcutaneous-rabbit LD50: 4500 mg/kg
stimulation data	eyes-rabbits 500 mg/24 h mild
flammability hazard characteristics	in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke
storage and transportation characteristics	The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids
extinguishing agent	dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent
autoignition temperature	270°C

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