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1,1-Dimethoxyhexane

1,1-Dimethoxyhexane structure

CAS No:
1599-47-9
Formula:
C8H18O2
Chemical Name:
1,1-Dimethoxyhexane
Synonyms:
Hexane,1,1-dimethoxy-;Hexanal,dimethyl acetal;1,1-Dimethoxyhexane;Caproaldehyde dimethyl acetal
Categories:
Chemical Reagents > Organic Reagents

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1,1-Dimethoxyhexane Basic Attributes

Molecular Weight：

146.23

Exact Mass：

146.23

EC Number：

216-488-5

DSSTox ID：

DTXSID6061812

HScode：

2911000000

Characteristics

PSA：

18.46000

XLogP3：

2.18560

Appearance：

Clear colorless Liquid

Density：

0.846 g/cm³ @ Temp: 21 °C

Melting Point：

259ºC

Boiling Point：

158 °C

Flash Point：

130 °F

Refractive Index：

n20/D 1.405(lit.)

Storage Conditions：

Flammables area

Vapor Pressure：

3.88mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,1-Dimethoxyhexane Use and Manufacturing

Manufacturing Info：

Hexane, 1,1-dimethoxy-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:146.23
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:146.130679813
Monoisotopic Mass:146.130679813
Topological Polar Surface Area:18.5
Heavy Atom Count:10
Complexity:60.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes