Methanol, 1,1-diethoxy-, 1-acetate
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Basic information
- CAS
14036-06-7- Standard SMILES
CCOC(OCC)OC(C)=O- InChIKey
IRUNKQSGDBYUDC-UHFFFAOYSA-N- Molecular formula
- C7H14O4
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.08920893
Names & identifiers
- Preferred name
- Methanol, 1,1-diethoxy-, 1-acetate
- IUPAC
- diethoxymethyl acetate
- English name
- Diethoxymethyl acetate
- Molecular formula
- C7H14O4
- Molecular weight
- 162.18
Names & synonyms
Diethoxymethyl acetate14036-06-7Methanol, 1,1-diethoxy-, 1-acetateDTXSID80884547RefChem:133359DTXCID601023982237-873-4DiethoxymethylacetateMethanol, diethoxy-, acetateMFCD00009229Acetic Acid Diethoxymethyl EsterDiethoxymethanol Acetate; NSC 158267; 1,1-Diethoxymethanol 1-Acetate
Show more names
Diethoxymethyleacetatediethoxy-methanoacetateDiethyloxymethyl acetateMETHYL 2,2-DIETHOXYACETATEDiethoxymethyl Acetate >Diethoxymethyl acetate ,97%acetic acidimethoxymethyl ester
EINECS 237-873-4NSC 158267Diethoxymethyl acetate, 96%SCHEMBL662137QSPL 099SCHEMBL6437696NSC158267AKOS005173939
Database identifiers
- CAS
14036-06-7- PubChem CID
- 84166
- DTXSID
DTXSID80884547- EC Number
- 237-873-4
- Nikkaji
- J81.708B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 170 · 170-172 °C(Press: 743 Torr)
- Density
- 0.993 g/mL · 0.993 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.399(lit.)
- Flash point
- 82 °F · 82 °F
- storage temp.
- 2 · 2-8°C
- solubility
- sol most common organic solvents
- form
- Liquid
- color
- Clear colorless
- BRN
- 1209886 · 1209886
- InChI
- 1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3
- InChIKey
- IRUNKQSGDBYUDC-UHFFFAOYSA-N
- SMILES
- CCOC(OCC)OC(C)=O
- LogP
- 1.92 · 1.920 (est)
- NIST Chemistry Reference
- Diethoxymethyl acetate(14036-06-7)
- EPA Substance Registry System
- Methanol, diethoxy-, acetate (14036-06-7)
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, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 9-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29153900
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanol, 1,1-diethoxy-, 1-acetate: ACTIVE
Applications
UsesDiethoxymethyl acetate was used in the synthesis of D-mannosyl, D-galactosyl and D-glucosyl theophylline nucleosides.
General DescriptionDiethoxymethyl acetate reacts with 5-amino-6-ribitylaminouracil hydrochloride to yield 6-dioxo-(1H,3H)-9-N-ribitylpurine.
Preparation methods
PreparationDiethoxymethyl acetate can be best prepared from triethyl orthoformate and formic acid/acetic anhydride.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
118 records
Compound notes
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