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3,3-Dimethyl-1-hexene

3,3-Dimethyl-1-hexene structure

CAS No:
3404-77-1
Formula:
C8H16
Chemical Name:
3,3-Dimethyl-1-hexene
Synonyms:
1-Hexene,3,3-dimethyl-;3,3-Dimethyl-1-hexene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3,3-Dimethyl-1-hexene Basic Attributes

Molecular Weight：

112.216

Exact Mass：

112.21

DSSTox ID：

DTXSID00187648

HScode：

2901299090

Characteristics

PSA：

XLogP3：

2.99870

Density：

0.7127 g/cm³ @ Temp: 20 °C

Melting Point：

-103.01°C (estimate)

Boiling Point：

104 °C

Flash Point：

10.7ºC

Refractive Index：

1.412

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:112.21
XLogP3:3.8
Rotatable Bond Count:3
Exact Mass:112.125200510
Monoisotopic Mass:112.125200510
Heavy Atom Count:8
Complexity:70.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes