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Propyl tert-butyl ether

HCID 520405
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
29072-93-3
Standard SMILES
CCCOC(C)(C)C
InChIKey
FITVQUMLGWRKKG-UHFFFAOYSA-N
Molecular formula
C7H16O
Average molar mass
116.2 g/mol
Monoisotopic mass
116.12011513

Names & identifiers

Preferred name
Propyl tert-butyl ether
IUPAC
2-methyl-2-propoxypropane
English name
Propyl tert-butyl ether
Molecular formula
C7H16O
Molecular weight
116.2

Names & synonyms

29072-93-3propyl tert-butyl etherDTXSID20334339RefChem:1097033DTXCID302854292-methyl-2-propoxypropanePropane, 2-methyl-2-propoxy-tert-butylpropylethert-butoxypropanen-propyl t-butyl etherMFCD304748731,1-Dimethylethyl propyl ether
Show more names
tert-Butylpropyl ether2-propoxy-2-methylpropanetert-Butyl propylether (TBP)
2-Methyl-2-propoxy-propane, stab. with BHTTert-butyl-propylether (stabilized with BHT)2-Methyl-2-propoxy-propaneSCHEMBL127909SCHEMBL191241SCHEMBL235300SCHEMBL437061SCHEMBL3037132

Database identifiers

CAS
29072-93-3
PubChem CID
520405
DTXSID
DTXSID20334339
Nikkaji
J293.874J

Properties

Computed structural properties

XLogP
2
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
8
Formal charge
0
Complexity
51.9

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
-95.35 °C · -95.35°C (estimate)
Boiling point
97.45 °C · 97.45°C
Density
0.7472 · 0.7472
refractive index
1.383 · 1.3830
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Liquid
color
Colourless
Stability
Volatile
Symbol(GHS)
2 · GHS02,GHS07,GHS08
Signal word
Danger
Hazard statements
225 · H225-H336-H350-H360
Precautionary statements
210 · P210-P233-P240-P241-P242-P243-P261-P271-P280-P303+P361+P353-P304+P340+P312-P370+P378-P403+P233-P403+P235-P405-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Danger
Symbol(GHS)
GHS02,GHS07,GHS08
Hazard statements
H225-H336-H350-H360
Precautionary statements
P210-P233-P240-P241-P242-P243-P261-P271-P280-P303+P361+P353-P304+P340+P312-P370+P378-P403+P233-P403+P235-P405-P501

Chemistry & industry

Applications

Uses2-Methyl-2-propoxypropane is used as a reagent in autoxidation reaction of certain esters.

Suppliers16 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
江阴瑞生化学有限公司13003356808 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]