2-Heptylcyclopentanone
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2-Heptylcyclopentanone
structure -
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CAS No:
137-03-1
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Formula:
C12H22O
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Chemical Name:
2-Heptylcyclopentanone
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Synonyms:
Cyclopentanone,2-heptyl-;2-Heptylcyclopentanone;Alismone;2-(n-Heptyl)cyclopentanone;2-Heptylcyclopentan-1-one;NSC 78468;Fleuramone;Projasmone P;129234-93-1
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CAS No:
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.
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.
2-Heptylcyclopentanone Use and Manufacturing
< 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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