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1,1-Dimethoxyheptane

1,1-Dimethoxyheptane structure

CAS No:
10032-05-0
Formula:
C9H20O2
Chemical Name:
1,1-Dimethoxyheptane
Synonyms:
Heptane,1,1-dimethoxy-;Heptanal,dimethyl acetal;1,1-Dimethoxyheptane
Categories:
Cosmetic Ingredient > Perfuming

Description

Heptanal dimethyl acetal has a pleasant odor reminiscent of walnut and cognac.Heptanal dimethyl acetal has a pleasant odor reminiscent of walnut and cognac. This substance may be synthesized from heptyl aldehyde and HCL in methanol solution, from heptyl aldehyde and methanol in the presence of Twitchell’s reagent.

colourless oily liquid with a green, herbaceous, somewhat nutty odour

1,1-Dimethoxyheptane is an acetal.

1,1-Dimethoxyheptane Basic Attributes

Molecular Weight：

160.25

Exact Mass：

160.25

BRN：

1698661

EC Number：

233-103-6

UNII：

RMC47KWZ4J

DSSTox ID：

DTXSID0064919

HScode：

2911000000

Characteristics

PSA：

18.5

XLogP3：

2.57570

Appearance：

colorless liquid

Density：

0.849 g/cm³ @ Temp: 20 °C

Boiling Point：

182 °C

Flash Point：

136 °F

Refractive Index：

n 20/D 1.4105(lit.)

Water Solubility：

352.3 mg/L @ 25 °C (est)|insoluble in water; soluble in organic solvents, oils|miscible at room temperature (in ethanol)

Vapor Pressure：

1.51mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

safety instructions：

23-24/25

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P330, P337+P313, P370+P378, P403+P235, P501

Hazard Statements：

H226-H302

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P330, P337+P313, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 151 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

heptanal dimethyl acetal

1,1-Dimethoxyheptane Use and Manufacturing

Manufacturing Info：

Heptane, 1,1-dimethoxy-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:160.25
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:160.146329876
Monoisotopic Mass:160.146329876
Topological Polar Surface Area:18.5
Heavy Atom Count:11
Complexity:70
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Dimethoxyheptane

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

1,1-Dimethoxyheptane

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