Methyl 2-methyl-1,3-dioxolane-2-butanoate

HCID 3310317
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Basic information

CAS
29310-39-2
Standard SMILES
COC(=O)CCCC1(C)OCCO1
InChIKey
VYOHYUOQDOIFLF-UHFFFAOYSA-N
Molecular formula
C9H16O4
Average molar mass
188.22 g/mol
Monoisotopic mass
188.10485899

Overview

See also: Methyl 2-methyl-1,3-dioxolane-2-butyrate (annotation moved to).

Names & identifiers

Preferred name
Methyl 2-methyl-1,3-dioxolane-2-butanoate
IUPAC
methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate
English name
METHYL 2-METHYL-1,3-DIOXOLANE-2-BUTYRATE
Molecular formula
C9H16O4
Molecular weight
188.22

Names & synonyms

Methyl 2-methyl-1,3-dioxolane-2-butanoateRefChem:814511Methyl 4-(2-methyl-1,3-dioxolan-2-yl)butanoate29310-39-2SCHEMBL9258891DTXSID40391328VYOHYUOQDOIFLF-UHFFFAOYSA-NAKOS024338096DB-416998Methyl 2-methyl-I,3-dioxolane-2-butanoatemethyl 5-oxohexanoate ethylene ketalMETHYL 2-METHYL-1,3-DIOXOLANE-2-BUTYRATE
Show more names
1,3-Dioxolane-2-butanoic acid, 2-methyl-, methyl ester

Database identifiers

CAS
29310-39-2
PubChem CID
3310317
DTXSID
DTXSID40391328

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
13

Physicochemical properties

Boiling point
105 · 105-107 °C(Press: 7-8 Torr)
Density
1.046 · 1.046±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers3 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
VGS SYNTHESIS PRIVATE LIMITED[email protected]
SIGMAALDRICH—

Related reactions

7 records
New reaction record

Compound notes

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