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Geranylacetone

Geranylacetone structure

CAS No:
3796-70-1
Formula:
C13H22O
Chemical Name:
Geranylacetone
Synonyms:
5,9-Undecadien-2-one,6,10-dimethyl-,(5E)-;5,9-Undecadien-2-one,6,10-dimethyl-,(E)-;(5E)-6,10-Dimethyl-5,9-undecadien-2-one;Geranylacetone;trans-Geranylacetone;(E)-6,10-Dimethyl-5,9-undecadien-2-one;trans-6,10-Dimethyl-5,9-undecadien-2-one;(E)-Geranylacetone;6,10-Dimethyl-(E)-5,9-undecadien-2-one;Ethanol,2-(acetylsulfonyl)-,1-acetate;2381218-05-7
Categories:
Cosmetic Ingredient > Perfuming

Description

6,10-Dimethyl-5,9-undecadien-2-one has a green and rosy floral odor and fresh-floral, light, but rather penetrating sweet-rosy, slightly green, magnolia-like odor. It blends well in lavender and fruity notes, where it imparts a clean and natural character. It helps to round out floral bouquets

Colourless slightly yellow liquid; fresh floral but penetrating sweet-rosey aroma

Geranyl acetone is a monoterpene ketone in which an (E)-geranyl group is bonded to one of the alpha-methyls of acetone. It is a component of essential oils from various plants including Nelumbo nucifera. It has a role as a flavouring agent, a fragrance, a volatile oil component and a plant metabolite. It contains a geranyl group.

Geranylacetone Basic Attributes

Molecular Weight：

194.31

Exact Mass：

194.31

BRN：

1722277

EC Number：

223-269-8

UNII：

9B7RY79U9Z

NSC Number：

406679

DSSTox ID：

DTXSID1021586|DTXSID4052053|DTXSID00110072

HScode：

29141900

Characteristics

PSA：

17.1

XLogP3：

4.04830

Appearance：

Colourless slightly yellow liquid; fresh floral but penetrating sweet-rosey aroma

Density：

0.8698 g/cm³ @ Temp: 20 °C

Boiling Point：

126-128 °C @ Press: 10 Torr

Flash Point：

>230 °F

Refractive Index：

1.467

Water Solubility：

slightly soluble in water; soluble in oil

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P264, P273, P280, P302+P352, P321, P332+P313, P362, P391, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P321, P332+P313, P362, P391, and P501|Aggregated GHS information provided by 1684 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 474 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

geranyl acetone

Geranylacetone Use and Manufacturing

Uses

Used as pharmaceutical intermediates, used to synthesize isophytol, can be formulated with geraniol oil, used in perfume industry

Manufacturing Info：

5,9-Undecadien-2-one, 6,10-dimethyl-, (5E)-: ACTIVE|Undecadien-2-one, 6,10-dimethyl-: INACTIVE|5,9-Undecadien-2-one, 6,10-dimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Hydrocarbons [FA11]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:194.31
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:194.167065321
Monoisotopic Mass:194.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:230
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Geranylacetone

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Geranylacetone

CAS No.: 3796-70-1

Content: 99.00%

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CN
5 YRS

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Geranylacetone 99% high purity certified Professional producer Greenbo

CAS No.: 3796-70-1

Grade: Food Grade

Content: 99%

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Guide of Geranylacetone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Geranylacetone

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