 Home > Encyclopedia > 3-Hexanone

3-Hexanone

3-Hexanone structure

CAS No:
589-38-8
Formula:
C6H12O
Chemical Name:
3-Hexanone
Synonyms:
3-Hexanone;Ethyl propyl ketone;3-Oxohexane
Categories:
Cosmetic Ingredient > Perfuming

Description

3-Hexanone has an ethereal, grape, wine-like odor colourless liquid

Liquid

3-hexanone is a dialkyl ketone that is hexane in which the two methylene protons at position 3 have been replaced by an oxo group. It has a role as a human urinary metabolite, a human xenobiotic metabolite, an insect attractant, a plant metabolite and a bacterial xenobiotic metabolite. It derives from a hydride of a hexane.

3-Hexanone Basic Attributes

Molecular Weight：

100.16

Exact Mass：

100.16

BRN：

1738025

EC Number：

209-645-4

UNII：

P601A79G79

UN Number：

1224

DSSTox ID：

DTXSID2021608

HScode：

29141900

Characteristics

PSA：

17.1

XLogP3：

1.44

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.816 g/cm³ @ Temp: 15 °C

Melting Point：

-55.5 °C

Boiling Point：

123.5 °C

Flash Point：

95 °F

Refractive Index：

1.395

Water Solubility：

soluble in water. (14 g/L)

Storage Conditions：

Flammables area

Vapor Pressure：

13.94 mmHg

Toxicity：

Oral-Rat LD50: 3360 mg/kg

Flammability characteristics：

In case of fire, high temperature, oxidant is more flammable; burning produces irritating smoke

Explosive limit：

1-8%(V)

OH：

6.90e-12 cm3/molecule*sec

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1224 3/PG 3

wgk germany：

hazard class code：

11-36/37/38-10

safety instructions：

26-36-16-9-37/39

RTECS Number：

MP1575000

Marks：

Xi,F

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from oxidant

Stability/Shelf Life：

Stable, but may form peroxides on prolonged storage. Flammable. Incompatible with oxidizing agents, reducing agents, strong bases.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

Fire Hazards：

Flammable - 3rd degree

GHS Classification：

|Warning|H226 (97.45%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1449 companies from 10 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

3-hexanone

3-Hexanone Use and Manufacturing

Methods of Manufacturing

It is derived from the dehydrogenation of 3-hexanol in the presence of oxidative phosphorylation Ni-Zn catalyst. It can also be obtained by hydrogenation of 2-ethylfuran. Or derived from β-furanyl propionic acid at 250-300°C through 5% Pt-C catalysis.

Uses

Spices for food. Mainly used to prepare wine and other fruit wine flavors and meat flavors.

Manufacturing Info：

3-Hexanone: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]|Fire Hazards -> Flammable - 3rd degree

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:100.16
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:100.088815002
Monoisotopic Mass:100.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:57.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Hexanone

Hangzhou KieRay Chem Co.,LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of fine chemicals,pharmaceutical materials

3-Hexanone

CAS No.: 589-38-8

Grade: industrial Grade

Content: 98%

Inquiry
NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals

3-Hexanone

CAS No.: 589-38-8

Grade: Industrial Grade

Content: 99%

Inquiry

Learn More Other Chemicals

Celery ketone

3720-16-9
Cetalox

3738-00-9
(-)-Ambrox

6790-58-5
1-Methoxy-1-methylcyclododecane Formula

37514-30-0
Benzyl tiglate Formula

37526-88-8
2-Methyldodecanal Formula

37596-36-4
5-Cyclohexadecen-1-one Structure

37609-25-9
2-Undecen-1-ol Structure

37617-03-1
What is 2-Methyl-3-pentenoic acid

37674-63-8
What is Myrac aldehyde

37677-14-8

Hot Searches: methyl-β-d-pyranoside; sodium sulfide compound; oleate; 9 me bc; 1 propanol; ibsrela 50 mg

Guide of 3-Hexanone

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

3-Hexanone

SDS

Request for Quotation



Feedback & Suggestions

Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.