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2-Heptylcyclopentanone

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

Molecular Weight：

182.3

Exact Mass：

182.30

EC Number：

205-273-1

NSC Number：

78468

DSSTox ID：

DTXSID8044547

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

3.88

Appearance：

Colorless to slight yellow liquid

Density：

0.8871 g/cm³ @ Temp: 20 °C

Boiling Point：

130 °C @ Press: 10 Torr

Flash Point：

98.6±10.7 °C

Refractive Index：

1.4526 (589.3 nm 20℃)

Vapor Pressure：

0.0204mmHg at 25°C

Toxicity：

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

hazard class code：

36/37/38

safety instructions：

26-37

RTECS Number：

GY4950000

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|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

MeSH Entry Terms：

2-heptylcyclopentanone

2-Heptylcyclopentanone Use and Manufacturing

Production

< 25,000 lb

Manufacturing Info：

Cyclopentanone, 2-heptyl-: ACTIVE

Use Classification：

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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Guide of 2-Heptylcyclopentanone

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

2-Heptylcyclopentanone

SDS

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