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Pentyl pentanoate

Pentyl pentanoate structure

Pentyl pentanoate 

structure
  • CAS No:

    2173-56-0

  • Formula:

    C10H20O2

  • Chemical Name:

    Pentyl pentanoate

  • Synonyms:

    Pentanoic acid,pentyl ester;Valeric acid,pentyl ester;Amyl valerate;Amyl valerianate;Pentyl valerate;Pentyl pentanoate;1-Pentyl n-valerate;n-Pentyl pentanoate;NSC 76414

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Pentyl pentanoate Basic Attributes

172.26500

172.26

218-528-7

694D4BU139

76414

DTXSID8042218

2915600000

Characteristics

26.30000

2.91000

0.865 g/mL at 20 °C(lit.)

-78.8 °C

203.7 °C

81 °C

n20/D 1.417

0.233mmHg at 25°C

Safety Information

2

S23-S24/25

SA4250000

P264, P280, P302+P352, P321, P332+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 165 companies from 2 notifications to the ECHA C&L Inventory.

Pentyl pentanoate Use and Manufacturing

Pentanoic acid, pentyl ester: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:172.26
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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