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Home > Encyclopedia > 1-Methyl-1,3-cyclohexadiene

1-Methyl-1,3-cyclohexadiene

1-Methyl-1,3-cyclohexadiene structure

1-Methyl-1,3-cyclohexadiene 

structure
  • CAS No:

    1489-56-1

  • Formula:

    C7H10

  • Chemical Name:

    1-Methyl-1,3-cyclohexadiene

  • Synonyms:

    1,3-Cyclohexadiene,1-methyl-;1-Methyl-1,3-cyclohexadiene;2,3-Dihydrotoluene

Description

By dehalogenation of 1,2-dibromo-l-methyl cyclohexane with sodium ethoxide; purified by distillation over metallic sodium.


Colourless oily liquid; Light fruity aroma|Colorless liquid, Strong lemon-lime top note


1-Methyl-1,3-cyclohexadiene is a hydrocarbon.

1-Methyl-1,3-cyclohexadiene Basic Attributes

94.15

94.15

250-269-5

NZ9H475GT1

DTXSID1051985

Characteristics

0

2.1

Colourless oily liquid; Light fruity aroma

0.8000 (estimate)

102-103 °C

1.4453 (estimate)

Insoluble in water; soluble in most fixed oils

Safety Information

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, P501

H225

|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|Aggregated GHS information provided by 130 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-Methyl-1,3-cyclohexadiene Use and Manufacturing

1,3-Cyclohexadiene, 1-methyl-: INACTIVE|Cyclohexadiene, methyl-: ACTIVE

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:94.15
XLogP3:2.1
Exact Mass:94.078250319
Monoisotopic Mass:94.078250319
Heavy Atom Count:7
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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