2,2-Dimethoxybutane

HCID 137941
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Basic information

CAS
3453-99-4
Standard SMILES
CCC(C)(OC)OC
InChIKey
OXQHJIGWZNIQDS-UHFFFAOYSA-N
Molecular formula
C6H14O2
Average molar mass
118.17 g/mol
Monoisotopic mass
118.09937969

Names & identifiers

Preferred name
2,2-Dimethoxybutane
IUPAC
2,2-dimethoxybutane
English name
2,2-Dimethoxybutane
Molecular formula
C6H14O2
Molecular weight
118.17

Names & synonyms

2,2-Dimethoxybutane3453-99-4DTXSID80188077RefChem:81026DTXCID10110568OXQHJIGWZNIQDS-UHFFFAOYSA-NButane, 2,2-dimethoxy-MFCD13185945Dimethoxybutane, 2,2-2,2-Dimethoxybutane95%2,2-Dimethoxybutane 90%SCHEMBL387136
Show more names
SCHEMBL387427SCHEMBL701581DAA45399AKOS022190120SY459488G6317311T-0601

Database identifiers

CAS
3453-99-4
PubChem CID
137941
DTXSID
DTXSID80188077
Nikkaji
J1.107.932F

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
8

Physicochemical properties

Boiling point
48 · 48-50 °C(Press: 100 Torr)
Density
0.8535 g/cm3 · 0.8535 g/cm3(Temp: 28 °C)
storage temp.
Hygroscopic, Refrigerator, under inert atmosphere
solubility
Chloroform, DMSO
form
Oil
color
Colourless

Safety & regulation

Safety & protection

Protective Action Criteria (PAC) · 3 items

5.2 [ppm]

57 [ppm]

340 [ppm]

Safety data

hs_code
2909199090
Signal word
Danger
Symbol(GHS)
GHS02,GHS07
Hazard statements
H225-H315-H319-H335
Precautionary statements
P210-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Uses2,2-Dimethoxybutane can be used as an additive in aviation gasoline and automotive gasoline, as well as in organic synthesis and as a comparative sample in gas chromatography.

Upstream & downstream products

Suppliers21 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

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Compound notes

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