1-Methyl-1,4-cyclohexadiene

HCID 78006
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Basic information

CAS
4313-57-9
Standard SMILES
CC1=CCC=CC1
InChIKey
QDXQAOGNBCOEQX-UHFFFAOYSA-N
Molecular formula
C7H10
Average molar mass
94.15 g/mol
Monoisotopic mass
94.07825032

Overview

1,4-Cyclohexadiene, 1-methyl- is a hydrocarbon.

Names & identifiers

Preferred name
1-Methyl-1,4-cyclohexadiene
IUPAC
1-methylcyclohexa-1,4-diene
English name
1-Methyl-1,4-cyclohexadiene
Molecular formula
C7H10
Molecular weight
94.15

Names & synonyms

1-Methyl-1,4-cyclohexadiene1-Methylcyclohexa-1,4-diene2,5-Dihydrotoluene1,4-Cyclohexadiene, 1-methyl-C2C4JK5I2MEINECS 224-329-6NSC-74127UNII-C2C4JK5I2MAI3-28791DTXSID90195712NSC 74127RefChem:76191
Show more names
2-methyl-1,4-cyclohexadiene1-methyl-1,4-cyclohexyldiene1-Methyl-1,4-cyclohexadiene>1-METHYL-1 4-CYCLOHEXADIENE 96+%1-Methyl-1,4-cyclohexadiene, tech. 90%
DTXCID30118203224-329-6QDXQAOGNBCOEQX-UHFFFAOYSA-N4313-57-9MFCD00001538NSC741271, 1-methyl-1-methyl1,4-cyclohexadiene

Database identifiers

CAS
4313-57-9
PubChem CID
78006
DTXSID
DTXSID90195712
ChEBI
CHEBI:229349
UNII
C2C4JK5I2M
EC Number
224-329-6
Nikkaji
J102.054D

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
-70 ℃ · <-70℃
Boiling point
114 · 114-115 °C(lit.)
Density
0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.471(lit.)
Flash point
51 °F · 51 °F
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1,4-Cyclohexadiene, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk
2
ridadr
UN 3295 3/PG 2
hs_code
2902190000
risk_code
11-36
Signal word
Danger
Symbol(GHS)
GHS08,GHS02,GHS07

Chemistry & industry

Applications

Uses1-Methyl-1,4-cyclohexadiene is reported to be produced by some Nodulosporium species along with other volatile organic compounds (VOCs).

Upstream & downstream products

Suppliers63 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

27 records
New reaction record

Compound notes

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