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3,7-Dimethyloctyl acetate

3,7-Dimethyloctyl acetate structure

CAS No:
20780-49-8
Formula:
C12H24O2
Chemical Name:
3,7-Dimethyloctyl acetate
Synonyms:
1-Octanol,3,7-dimethyl-,1-acetate;1-Octanol,3,7-dimethyl-,acetate;Tetrahydrogeranyl acetate;Dihydrocitronellyl acetate;3,7-Dimethyloctyl acetate
Categories:
Cosmetic Ingredient > Perfuming

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Description

(R)-Dihydrocitronellol acetate is a carboxylic ester.

3,7-Dimethyloctyl acetate Basic Attributes

Molecular Weight：

200.31800

Exact Mass：

200.32

EC Number：

244-034-6

DSSTox ID：

DTXSID6051851

Characteristics

PSA：

26.30000

XLogP3：

3.40200

Density：

0.8659 g/cm³ @ Temp: 20 °C

Boiling Point：

104-108 °C @ Press: 12 Torr

Flash Point：

91.8ºC

Refractive Index：

1.427

Vapor Pressure：

0.104mmHg at 25°C

Safety Information

hazard class code：

R36/38

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 137 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,7-Dimethyloctyl acetate Use and Manufacturing

Manufacturing Info：

1-Octanol, 3,7-dimethyl-, 1-acetate: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:200.32
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:200.177630004
Monoisotopic Mass:200.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:152
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Hot Searches: smz-tmp; phenylacetaldehyde; stranguria; ribose for skin; cu2o; formula nh3

Guide of 3,7-Dimethyloctyl acetate

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

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