1,1,1-Trimethoxy-2-methylpropane

HCID 40495CAS 52698-46-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(OC)(OC)C(C)C
InChIKey
BGLARIMANCDMQX-UHFFFAOYSA-N
Molecular formula
C7H16O3
Average molar mass
148.2 g/mol
Monoisotopic mass
148.10994437

Names & identifiers

Preferred name
1,1,1-Trimethoxy-2-methylpropane
IUPAC
1,1,1-trimethoxy-2-methylpropane
English name
Trimethyl orthoisobutyrate
Molecular formula
C7H16O3
Molecular weight
148.2

Names & synonyms

1,1,1-TRIMETHOXY-2-METHYLPROPANE52698-46-166226-66-2DTXSID50967139EC 678-536-5RefChem:70864DTXCID701394744678-536-5Trimethyl OrthoisobutyratePropane, 1,1,1-trimethoxy-2-methyl-MFCD08276428Orthoisobutyric Acid Trimethyl Ester
Show more names
Propane, 2-methoxy-1-(2-methoxyethoxy)-
1,1,1-trimethoxy-2-methyl-propanePropane,1,1,1-trimethoxy-2-methyl-1,1,1-trimethoxyisobutaneE32PTH6Z4RSCHEMBL1286135SCHEMBL5497763SCHEMBL204466821.1.1-trimethoxy-2-methylpropane

Database identifiers

CAS
52698-46-1、66226-66-2
PubChem CID
40495
DTXSID
DTXSID50967139
UNII
E32PTH6Z4R
EC Number
678-536-5
Nikkaji
J1.056.209K

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
10

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 26-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6801
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Chemistry & industry

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

19 records
New reaction record

Linked notes

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