Cas no 2161-90-2 (1,3-Cyclohexadiene,1-methoxy-)
1,3-Cyclohexadiene,1-methoxy- structure
Product Name:1,3-Cyclohexadiene,1-methoxy-
CAS No:2161-90-2
MF:C7H10O
MW:110.153702259064
CID:254977
PubChem ID:24852997
Update Time:2025-04-19
1,3-Cyclohexadiene,1-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexadiene,1-methoxy-
- 1-methoxycyclohexa-1,3-diene
- 1,3-Cyclohexadiene,1-methoxy
- 1-Methoxy-1,3-cyclohexadiene
- 1-methoxycyclohex-1,3-diene
- 1-methoxy-cyclohexa-1,3-diene
- 1-Methoxycyclohexadiene
- 1-methoxycyclohexyl-1,3-diene
- 1-methyoxy-1,3-cyclohexadiene
- 2,3-Dihydroanisole
- Cyclohexadiene,1-methoxy
- Dihydroanisole
- 1-methoxy-1,3-cylcohexadiene
- Cyclohexadiene, 1-methoxy-
- 1,3-Cyclohexadiene, 1-methoxy-
- 2161-90-2
- InChI=1/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H
- NS00036981
- DTXSID0072015
- 1,3-Cyclohexadien-1-yl methyl ether #
- 1-methoxycyclohexa-1, 3-diene
- EINECS 274-213-4
- 69912-91-0
- J-014186
- SCHEMBL446703
- EINECS 218-483-3
- AKOS015912974
- 1-Methoxy-1,3-cyclohexadiene, technical grade, 65%
-
- MDL： MFCD00001533
- Inchi： 1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
- InChI Key： LNRUJSUKKBJFOM-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CCC1
Computed Properties
- Exact Mass: 110.07300
- Monoisotopic Mass: 110.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.9
- Topological Polar Surface Area: 9.2A^2
Experimental Properties
- Color/Form: Not determined
- Density: 0.929?g/mL?at 25?°C(lit.)
- Boiling Point: 40?°C/15?mmHg(lit.)
- Flash Point: Fahrenheit: 80.6 ° f
Celsius: 27 ° c - Refractive Index: n20/D 1.488(lit.)
- PSA: 9.23000
- LogP: 1.86670
- Solubility: Not determined
1,3-Cyclohexadiene,1-methoxy- Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H226-H302 + H312 + H332
- Warning Statement： P280
- Hazardous Material transportation number：UN 1993 3/PG 3
- WGK Germany：3
- Hazard Category Code： 10-20/21/22
- Safety Instruction： S16; S33; S36/37/39
-
Hazardous Material Identification：
- HazardClass：3.2
- PackingGroup：III
- Safety Term：3.2
- Packing Group：III
- Risk Phrases：R10; R20/21/22
- Packing Group：III
- Hazard Level：3.2
1,3-Cyclohexadiene,1-methoxy- Customs Data
- HS CODE：2909209000
- Customs Data：
China Customs Code:
2909209000Overview:
2909209000 Naphthenic ether\Cyclic ene ether [including its halogenation,sulfonation,Nitrosative or nitrosative derivatives and the above derivatives of cyclic terpene ethers].Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%
Summary:
2909209000 other cyclanic, cyclenic or cyclotherpenic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%
1,3-Cyclohexadiene,1-methoxy- Related Literature
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1. Syntheses based on cyclohexadienes. Part 2. Convenient synthesis of 6-alkylsalicylates, 6-alkyl-2,4-dihydroxybenzoate, and 2,5-dialkylresorcinolsCharles C. Kanakam,Neelakandha S. Mani,Halasya Ramanathan,G. S. R. Subba Rao J. Chem. Soc. Perkin Trans. 1 1989 1907
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2. (1R,3R)-2-Methylene-1,3-dithiolane 1,3-dioxide: a highly reactive and highly selective chiral ketene equivalent in cycloaddition reactions with a broad range of dienesVarinder K. Aggarwal,Zeynep Gültekin,Richard S. Grainger,Harry Adams,Peter L. Spargo J. Chem. Soc. Perkin Trans. 1 1998 2771
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Tapas R. Pradhan,Debendra K. Mohapatra Org. Biomol. Chem. 2018 16 8810
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4. Synthesis of espicufolin based on 6-endo ring closure of o-alkynoylnaphtholsHidemitsu Uno,Katsuji Sakamoto,Erina Honda,Kaori Fukuhara,Noboru Ono,Junya Tanaka,Masahiro Sakanaka J. Chem. Soc. Perkin Trans. 1 2001 229
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5. Synthesis, structure, and reactivity of a 4-oxo-η3-cyclohexenyl molybdenum complex; diastereofacial selectivity in the reactions of the derived lithium enolateMichael Green,Simon Greenfield,Michael J. Grimshire,Meinolf Kersting,A. Guy Orpen,Richard A. Rodrigues J. Chem. Soc. Chem. Commun. 1987 97
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