3-Pentanone

3-Pentanone - Names and Identifiers

Name	3-Pentanone
Synonyms	DEK (C2H5)2CO 3-Pentanon 3-Pentanone Diathylketon Diethylketon 3-Oxopentane Diethylcetone Diethyl ketone Ethyl propionyl 1,3-Dimethylacetone diethylcetone(french) Diethyl KetonePropione
CAS	96-22-0
EINECS	202-490-3
InChI	InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChIKey	FDPIMTJIUBPUKL-UHFFFAOYSA-N

3-Pentanone - Physico-chemical Properties

Molecular Formula	C5H10O
Molar Mass	86.13
Density	0.813 g/mL at 25 °C (lit.)
Melting Point	-42 °C (lit.)
Boling Point	101.5 °C (lit.)
Flash Point	55°F
Water Solubility	50 g/L (20 ºC)
Solubility	water: slightly soluble
Vapor Presure	20 mm Hg ( 28 °C)
Vapor Density	3 (vs air)
Appearance	Liquid
Color	Clear colorless
Exposure Limit	TLV-TWA 705 mg/m3 (200 ppm) (ACGIH).
Merck	14,3121
BRN	635749
PH	6.2 (50g/l, H2O, 20℃)
Storage Condition	Store below +30°C.
Stability	Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong bases, reducing agents, strong oxidizing agents.
Explosive Limit	1.6-7.7%(V)
Refractive Index	n20/D 1.392(lit.)
Physical and Chemical Properties	Character: colorless liquid. melting point -42 ℃ boiling point 101.7 ℃ relative density 0.8136 refractive index 1.3927 soluble in ethanol, ether.
Use	Used as a solvent, but also an intermediate in the synthesis of drugs

3-Pentanone - Risk and Safety

Risk Codes	R11 - Highly Flammable R37 - Irritating to the respiratory system R66 - Repeated exposure may cause skin dryness or cracking R67 - Vapors may cause drowsiness and dizziness
Safety Description	S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S25 - Avoid contact with eyes. S33 - Take precautionary measures against static discharges.
UN IDs	UN 1156 3/PG 2
WGK Germany	1
RTECS	SA8050000
TSCA	Yes
HS Code	2914 19 90
Hazard Class	3
Packing Group	II
Toxicity	LD50 orally in rats: 2.1 g/kg, Smyth et al., Arch. Ind. Hyg. Occup. Med. 10, 61 (1954)

3-Pentanone - Nature

Open Data Verified Data

colorless liquid. Has an acetone odor. Melting Point -42 °c. Boiling point 101.7 °c. The relative density was 0.8136. Refractive index 3927. Soluble in ethanol, ether, water.

Last Update：2024-01-02 23:10:35

3-Pentanone - Preparation Method

Open Data Verified Data

It is obtained from the oxidation of 3-pentanol, and the oxidation reaction is carried out at 90 ° C. After completion of the reaction, the fraction at 101-104 ° C. Is collected by fractionation.

Last Update：2022-01-01 10:16:59

3-Pentanone - Use

Open Data Verified Data

chemical reagents, raw materials for organic synthesis.

Last Update：2022-01-01 10:16:58

3-Pentanone - Safety

Open Data Verified Data

This product has a strong irritation to the eyes and tracheal mucosa, making people feel Dyspnea, can cause Head Pain. High concentration of anesthesia. Rat LC16000 x 10-6, rat oral LD50 2.lg/kg. Production equipment should be closed, the workshop should have good ventilation. The operator should wear protective gear.
The pressure cylinder or pressure storage tank is used for storage and transportation to avoid exposure and impact. According to the provisions of the storage and transportation of toxic and flammable chemicals.

Last Update：2022-01-01 10:16:59

3-Pentanone - Reference Information

relative polarity	0.265
LogP	0.85 at 25℃
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Use	is used as a solvent and an intermediate in the synthesis of drugs 3-pentanone is an intermediate of the herbicide dimethacryl. used as solvents, pharmaceutical intermediates, chemical reagents and raw materials for organic synthesis. used as solvent, also used in pharmaceutical industry
production method	is obtained by oxidation of 3-pentanol. The oxidation reaction was carried out at 90 ° C., the reaction was followed by filtration, and then the 101-104 ° C. Fraction was fractionated to obtain the final product. The preparation method is obtained by the oxidation of 3-pentanol, and sodium dichromate is commonly used to oxidize in the presence of sulfuric acid at an oxidation temperature of 90 ° C. After the reaction is completed, the finished product is obtained by distillation.
category	flammable liquid
toxicity grade	poisoning
Acute toxicity	oral-rat LD50: 2140 mg/kg
stimulation data	eyes-moderate in rabbits at 100 mg/24 h; cutaneous-rabbit 410 mg mild
explosive hazard characteristics	explosive when mixed with air
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; It is stored separately from the oxidant
extinguishing agent	dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent
Occupational Standard	TWA 705 mg/m3
spontaneous combustion temperature	845 ° F.
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)