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Fenchyl acetate

Fenchyl acetate structure

CAS No:
13851-11-1
Formula:
C12H20O2
Chemical Name:
Fenchyl acetate
Synonyms:
Bicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl-,2-acetate;2-Norbornanol,1,3,3-trimethyl-,acetate;Bicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl-,acetate;Fenchyl acetate;NSC 404295;1,3,3-Trimethylbicyclo[2.2.1]heptan-2-yl acetate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Colourless mobile liquid; Mild, sweet, fir oil type aroma

Fenchyl acetate is a monoterpenoid.

Fenchyl acetate Basic Attributes

Molecular Weight：

196.28600

Exact Mass：

196.29

EC Number：

807-751-0|237-588-5

UNII：

I8JL13M20M

NSC Number：

404295

DSSTox ID：

DTXSID2047197

HScode：

2915390090

Characteristics

PSA：

26.30000

XLogP3：

2.76430

Appearance：

Colourless mobile liquid; Mild, sweet, fir oil type aroma

Density：

0.98 g/mL at 25ºC(lit.)

Boiling Point：

87 °C @ Press: 10 Torr

Flash Point：

87.4ºC

Refractive Index：

n20/D 1.456(lit.)

Water Solubility：

Soluble in oils; Slightly soluble in water|Soluble (in ethanol)

Vapor Pressure：

0.117mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36

Marks：

GHS Classification：

|Warning|H317 (95.97%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P261, P272, P280, P281, P302+P352, P308+P313, P321, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 1731 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1,3,3-trimethyl-2-norbornanyl acetate

Fenchyl acetate Use and Manufacturing

Manufacturing Info：

Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, 2-acetate: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:196.29
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:196.146329876
Monoisotopic Mass:196.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:270
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Fenchyl acetate

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

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