Methanol, 1,1-diethoxy-, 1-acetate

HCID 84166CAS 14036-06-7
Substructure searchFind similar structures

Basic information

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 properties

XLogP
0.8
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
11

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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

Suppliers50 total

常州帝通化工有限公司+86-0519-88298848 · [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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

118 records
New reaction record

Linked notes

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