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Home > Encyclopedia > 5-Methyl-3-heptanone

5-Methyl-3-heptanone

5-Methyl-3-heptanone structure

5-Methyl-3-heptanone 

structure
  • CAS No:

    541-85-5

  • Formula:

    C8H16O

  • Chemical Name:

    5-Methyl-3-heptanone

  • Synonyms:

    3-Heptanone,5-methyl-;5-Methyl-3-heptanone;3-Methyl-5-heptanone;Ethyl 2-methylbutyl ketone;2-Methylbutyl ethyl ketone;(±)-5-Methyl-3-heptanone;NSC 100734;57968-70-4

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

CLEAR LIGHT YELLOW LIQUID 5-Methyl-3-heptanone is a colorless liquid of low volatility. It has an agreeable penetrating odor that resembles the essence of apricots and peaches. Threshold odor concentrations of 6 and ,5 ppm have been reported .


COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|Colorless liquid with a pungent odor.

5-Methyl-3-heptanone Basic Attributes

128.21

128.21

208-793-7

1391

100734

2271

DTXSID9047047

2914190090

Characteristics

17.1

2.32

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

0.82 g/cm3

-56.7 °C

157-162 °C

111 °F

1.409

Insoluble

Store below +30°C.

Vapour pressure, kPa at 25°C: 0.267

Relative vapour density (air = 1): 4.4

Oral-rat LD50: 3500 mg/kg; Oral-Mouse LD50: 3800 mg/kg

Flammable; spicy and irritating smoke is released in the fire

0.9-48%(V)

Class II Combustible Liquid: Fl.P. at or above 100°F and below 140°F.

The vapour is heavier than air and may travel along the ground; distant ignition possible.

Safety Information

III

3.2

UN 2271 3/PG 3

1

10-36/37

23

MJ7350000

Xi

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

Steam and air can be explosive when mixed

P280-P305 + P351 + P338-P337 + P313-P403 + P235

H226-H319-H335

Flammable. Above 43 °C explosive vapour/air mixtures may be formed.

|Warning|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 2310 companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P332+P313, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501

Use water spray, powder, foam, carbon dioxide. In case of fire: keep cylinder cool by spraying with water.

(See protection codes)

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Fireproof. Separated from strong oxidants, strong bases and strong reducing agents. Well closed.

A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.

The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause unconsciousness.

The substance defats the skin, which may cause dryness or cracking.

NO open flames, NO sparks and NO smoking. Above 43 °C use a closed system, ventilation and explosion-proof electrical equipment.

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety spectacles.

Toxicity

moderately toxic

Drug Information

(See procedures)


Fresh air, rest. Refer for medical attention.


Remove contaminated clothes. Rinse skin with plenty of water or shower.


First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

The substance can be absorbed into the body by inhalation.|inhalation, ingestion, skin and/or eye contact

irritation eyes, skin, mucous membrane; headache; narcosis, coma; dermatitis


Cough. Dizziness. Headache. Nausea. Sore throat.


Dry skin. Redness.


Redness. Pain.

Eyes, skin, respiratory system, central nervous system

5-Methyl-3-heptanone Use and Manufacturing

Methods of Manufacturing

Derived from the dehydrogenation of 5-methylheptanol.

Uses

Solvent for nitrocellulose and vinyl resin.

3-Heptanone, 5-methyl-: ACTIVE

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Flavoring Agents

Computed Properties

Molecular Weight:128.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:86.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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