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3,3-Dimethylheptane

3,3-Dimethylheptane structure

CAS No:
4032-86-4
Formula:
C9H20
Chemical Name:
3,3-Dimethylheptane
Synonyms:
Heptane,3,3-dimethyl-;3,3-Dimethylheptane

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3,3-Dimethylheptane Basic Attributes

Molecular Weight：

128.259

Exact Mass：

128.26

DSSTox ID：

DTXSID1074709

HScode：

2901100000

Characteristics

PSA：

XLogP3：

5.17

Density：

0.7304 g/cm³ @ Temp: 20 °C

Melting Point：

-102.17°C (estimate)

Boiling Point：

137.3 °C

Flash Point：

27.2±11.7 °C

Refractive Index：

1.408

Water Solubility：

302.8ug/L(temperature not stated)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3295

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P280, P301+P310, P302+P352, P303+P361+P353, P321, P331, P332+P313, P362, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (19.15%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P301+P310, P302+P352, P303+P361+P353, P321, P331, P332+P313, P362, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:128.25
XLogP3:4.7
Rotatable Bond Count:4
Exact Mass:128.156500638
Monoisotopic Mass:128.156500638
Heavy Atom Count:9
Complexity:62.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: is gallium toxic; phenylmagnesium bromide; dimethiconol; cefepime drug class; magnesium sulfide; smz/tmp

Guide of 3,3-Dimethylheptane

Basic Attributes
Characteristics
Safety Information
Computed Properties

3,3-Dimethylheptane

SDS

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