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Pentyl benzoate

Pentyl benzoate structure

Pentyl benzoate 

structure
  • CAS No:

    2049-96-9

  • Formula:

    C12H16O2

  • Chemical Name:

    Pentyl benzoate

  • Synonyms:

    Benzoic acid,pentyl ester;Amyl benzoate;Pentyl benzoate;n-Pentyl benzoate;n-Amyl benzoate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

clear colorless liquid

Pentyl benzoate Basic Attributes

192.25

192.25

218-077-6

CLE7K4B29S

DTXSID2051849

2916310090

Characteristics

26.30000

4.32

clear colorless liquid

0.9520 g/cm3 @ Temp: 22 °C

137-138 °C @ Press: 15 Torr

260°C

1.497

0.00752mmHg at 25°C

skn-rbt 500 mg/24H MLD FCTXAV 11,1079,73

Safety Information

51/53

24/25-61

DH6276000

N

|H411 (97.44%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 274 companies from 3 notifications to the ECHA C&L Inventory.

Pentyl benzoate Use and Manufacturing

Benzoic acid, pentyl ester: ACTIVE

Food additives -> Flavoring Agents|Cosmetics -> Masking; Solvent

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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