1,3-Cyclopentanedione, 2,2-dimethyl-

HCID 19763
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Basic information

CAS
3883-58-7
Standard SMILES
CC1(C)C(=O)CCC1=O
InChIKey
VXVZVJNSRQRUTI-UHFFFAOYSA-N
Molecular formula
C7H10O2
Average molar mass
126.15 g/mol
Monoisotopic mass
126.06807956

Names & identifiers

Preferred name
1,3-Cyclopentanedione, 2,2-dimethyl-
IUPAC
2,2-dimethylcyclopentane-1,3-dione
English name
2,2-Dimethyl-1,3-cyclopentanedione
Molecular formula
C7H10O2
Molecular weight
126.15

Names & synonyms

2,2-Dimethyl-1,3-cyclopentanedione1,3-Cyclopentanedione, 2,2-dimethyl-DTXSID90192100RefChem:218241DTXCID60114591VXVZVJNSRQRUTI-UHFFFAOYSA-N3883-58-72,2-dimethylcyclopentane-1,3-dioneMFCD000749002,2-dimethyl-cyclopentane-1,3-dioneghl.PD_Mitscher_leg0.127SCHEMBL660844
Show more names
SCHEMBL27789312AKOS004120700DS-16688DB-098260CS-0153883ST45174620C74976F440293

Database identifiers

CAS
3883-58-7
PubChem CID
19763
DTXSID
DTXSID90192100
Nikkaji
J145.024G

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
46 · 46-47 °C
Boiling point
213.4 · 213.4±23.0 °C(Predicted)
Density
1.05 · 1.050±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
Appearance
Off-white to light yellow Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers25 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

25 records
New reaction record

Compound notes

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