1,1-Dimethoxycyclohexane

HCID 13616CAS 933-40-4
Substructure searchFind similar structures

Basic information

Standard SMILES
COC1(OC)CCCCC1
InChIKey
XPIJMQVLTXAGME-UHFFFAOYSA-N
Molecular formula
C8H16O2
Average molar mass
144.21 g/mol
Monoisotopic mass
144.11502975

Names & identifiers

Preferred name
1,1-Dimethoxycyclohexane
IUPAC
1,1-dimethoxycyclohexane
English name
1,1-Dimethoxycyclohexane
Molecular formula
C8H16O2
Molecular weight
144.21

Names & synonyms

1,1-DIMETHOXYCYCLOHEXANECyclohexanone dimethyl ketalCyclohexane, 1,1-dimethoxy-Cyclohexanone, dimethyl acetalDTXSID00239373RefChem:71090DTXCID20161864629-653-5InChI=1/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2HXPIJMQVLTXAGME-UHFFFAOYSA-N933-40-4Cyclohexanone Dimethylketal
Show more names
1,1-Dimethoxycyclohexane >CYCLOHEXANONE DIMETHYL KETAL
dimethoxycyclohexane1,1-dimethoxy-cyclohexaneMFCD00043714cyclohexanone dimethyl acetaltimtec-bb sbb0084031,1 - Dimethoxycyclohexanecyclohexanone dimethyl ketal 99%cyclohexanone-dimethylacetal

Database identifiers

CAS
933-40-4
PubChem CID
13616
DTXSID
DTXSID00239373
EC Number
629-653-5
Nikkaji
J119.632D

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Boiling point
83 °C/50 · 83 °C/50 mmHg (lit.)
Density
0.948 g/mL · 0.948 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.439(lit.)
Flash point
50 °C · 50°C
storage temp.
2 · Storage temp. 2-8°C
solubility
Chloroform (Soluble), Ethyl Acetate (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

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 41 reports by companies from 1 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
3271
hs_code
2911.00.5000
risk_code
10-18
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses1,1-Dimethoxycyclohexane is a useful research chemical used in the preparation of N-substituted valiolamine derivatives as potential oral antidiabetic agents.

General DescriptionCyclohexanone dimethyl ketal reacts with trimethylsilane in the presence of trimethylsilyl triflate to form the corresponding ether. It can also undergo allylation and propargylation in the presence of indium to form the corresponding homoallylic or homopropargylic alcohol, respectively.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

9 records
New reaction record

Linked notes

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