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Home > Encyclopedia > 3,3,5-Trimethylcyclohexane

3,3,5-Trimethylcyclohexane

3,3,5-Trimethylcyclohexane structure

3,3,5-Trimethylcyclohexane 

structure
  • CAS No:

    3073-66-3

  • Formula:

    C9H18

  • Chemical Name:

    3,3,5-Trimethylcyclohexane

  • Synonyms:

    Cyclohexane,1,1,3-trimethyl-;1,1,3-Trimethylcyclohexane;Cyclogeraniolane;NSC 73965;3,3,5-Trimethylcyclohexane;150927-12-1

Description

Clear, colorless, flammable liquid with an odor resembling methylcyclohexane.

3,3,5-Trimethylcyclohexane Basic Attributes

126.239

126.24

221-347-6

L13QEP2K04

73965

DTXSID60858746

Characteristics

0

4.91

0.7868 g/cm3 @ Temp: 25 °C

-65.7 °C

136.6 °C

25.2±11.7 °C

1.420

1.77 mg/kg at 25 °C (shake flask-GLC, Price, 1976)

11.1 (estimated using Antoine equation, Dean, 1987)

EC50 (48-h static bioassay) for Daphnia pulex 1,000 μg/L (Passino-Reader et al., 1997).

8.73e-12 cm3/molecule*sec

Safety Information

II

3.1

1993

11-65

S9-S16-S29-S33-S62

GV7650000

F: Flammable;Xn: Harmful;

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

H225

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory.

3,3,5-Trimethylcyclohexane Use and Manufacturing

Fatty Acyls [FA] -> Hydrocarbons [FA11]

Computed Properties

Molecular Weight:126.24
XLogP3:4.1
Exact Mass:126.140850574
Monoisotopic Mass:126.140850574
Heavy Atom Count:9
Complexity:92.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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