Basic information
- CAS
2886-59-1- Standard SMILES
COC1=CCC=CC1- InChIKey
RGXIXVNKYUAKHS-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- 1-Methoxycyclohexa-1,4-diene
- IUPAC
- 1-methoxycyclohexa-1,4-diene
- English name
- 1-Methoxy-1,4-cyclohexadiene
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
1-Methoxycyclohexa-1,4-diene2886-59-11-Methoxy-1,4-cyclohexadieneEINECS 220-747-8DTXSID70183056RefChem:433571DTXCID80105547220-747-81,4-Cyclohexadiene, 1-methoxy-1-methoxy-cyclohexa-1,4-dieneMFCD000015361-Methoxycyclohexa-1,4-diene, tech
Show more names
2,5-DIHYDROANISOLE51-methoxycyclohexa-1,4-diene1,4-Cyclohexadien-1-yl methyl ether1-Methoxy-1,4-cyclohexadiene,75%,tech.1-METHOXY-1,4-CYCLOHEXADIENE, TECH., 85%
NU7VS4JVC5SCHEMBL30158221-methoxy-1, 4-cyclohexadieneSCHEMBL11720752SCHEMBL28445953SCHEMBL28455055AR-1K4942AKOS015912975
Database identifiers
- CAS
2886-59-1- PubChem CID
- 76156
- DTXSID
DTXSID70183056- UNII
- NU7VS4JVC5
- EC Number
- 220-747-8
- Nikkaji
- J306.808K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 148 · 148-150 °C (lit.)
- Density
- 0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.475(lit.)
- Flash point
- 98 °F · 98 °F
- form
- liquid
- color
- Clear, almost colourless to faint yellow
- BRN
- 1925467 · 1925467
- InChI
- 1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
- InChIKey
- RGXIXVNKYUAKHS-UHFFFAOYSA-N
- SMILES
- COC1=CCC=CC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2909200090
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P242-P243
Chemistry & industry
Applications
Uses1-Methoxycyclohexa-1,4-diene is used in process for preparation of Ruthenium(0) Arene α-Diimine complexes as precursors for vapor and solution deposition of Ruthenium films.
General Description1-Methoxy-1,4-cyclohexadiene reacts with RuCl3·xH2O in an alcohol solvent to give [RuCl2(η6-C6H5OR)2 (R = Me, Et or HOCH2CH2).
Upstream & downstream products
Downstream products
Suppliers16 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
杭州东帆化学有限公司86-0571-85151182
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
Related reactions
7 records
Compound notes
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