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Home > Encyclopedia > 2-Heptylcyclopentanone

2-Heptylcyclopentanone

2-Heptylcyclopentanone structure

2-Heptylcyclopentanone 

structure
  • CAS No:

    137-03-1

  • Formula:

    C12H22O

  • Chemical Name:

    2-Heptylcyclopentanone

  • Synonyms:

    Cyclopentanone,2-heptyl-;2-Heptylcyclopentanone;Alismone;2-(n-Heptyl)cyclopentanone;2-Heptylcyclopentan-1-one;NSC 78468;Fleuramone;Projasmone P;129234-93-1

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

2-N-HEPTYLCYCLOPENTANONE is a colorless, viscous liquid with a fruity, slightly herbaceous, jasmine odor; it has not yet been found in nature. 2-Heptylcyclopentanone is used in, for example, jasmine, honeysuckle, and lavender compositions.

2-Heptylcyclopentanone Basic Attributes

182.3

182.30

205-273-1

78468

DTXSID8044547

2914299000

Characteristics

17.1

3.88

Colorless to slight yellow liquid

0.8871 g/cm3 @ Temp: 20 °C

130 °C @ Press: 10 Torr

98.6±10.7 °C

1.4526 (589.3 nm 20℃)

0.0204mmHg at 25°C

The acute oral LD 50 value in rats was reported as > 5 g/kg (Shelanski, 1973). The acute dermal LD 50 value in rabbits was reported as 5 g/kg (Shelanski, 1973).

Safety Information

36/37/38

26-37

GY4950000

Xi

P264, P273, P280, P302+P352, P321, P332+P313, P362, P391, P501

H315

|Warning|H315 (84.28%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P321, P332+P313, P362, P391, and P501|Aggregated GHS information provided by 1692 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

2-heptylcyclopentanone

2-Heptylcyclopentanone Use and Manufacturing

Production

< 25,000 lb

Cyclopentanone, 2-heptyl-: ACTIVE

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Cosmetics -> Solvent

Computed Properties

Molecular Weight:182.30
XLogP3:4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:182.167065321
Monoisotopic Mass:182.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:151
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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