5,5-Dimethyldihydrofuran-2-one - CAS 3123-97-5

Catalog:	BB020840
Product Name:	5,5-Dimethyldihydrofuran-2-one
CAS:	3123-97-5
Synonyms:	5,5-dimethyl-2-oxolanone; 5,5-dimethyloxolan-2-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5,5-dimethyloxolan-2-one
Description:	Intermediate used to produce a variety of pharmaceutical agents, such as analgesic compounds and retinoic acid receptor (RAR) antagonists.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	CC1(CCC(=O)O1)C
InChI:	InChI=1S/C6H10O2/c1-6(2)4-3-5(7)8-6/h3-4H2,1-2H3
InChI Key:	NPHAVLULUWJQAS-UHFFFAOYSA-N
Boiling Point:	191.5 °C at 760 mmHg
Density:	0.995 g/cm³
MDL:	MFCD08061147
LogP:	1.10200

Publication Number	Title	Priority Date
CN-111925524-A	Flexible high-temperature-resistant polyimide precursor gel, preparation method and application thereof, and polyimide flexible honeycomb structure	20200820
CN-111925524-B	Flexible high-temperature-resistant polyimide precursor gel, preparation method and application thereof, and polyimide flexible honeycomb structure	20200820
CN-111944312-A	Responsive heat-conducting polyimide precursor gel, preparation method thereof and responsive heat-conducting polyimide honeycomb structure	20200820
CN-111944312-B	Responsive heat-conducting polyimide precursor gel, preparation method thereof and responsive heat-conducting polyimide honeycomb structure	20200820
JP-2021136150-A	Manufacturing method of positive electrode of secondary battery and secondary battery	20200227

PMID	Publication Date	Title	Journal
8075360	19940501	Structure-activity relationships for contact allergenic potential of gamma,gamma-dimethyl-gamma-butyrolactone derivatives. 1. Synthesis and electrophilic reactivity studies of alpha-(omega-substituted-alkyl)-gamma,gamma-dimethyl-gamma-butyrolacton es and correlation of skin sensitization potential and cross-sensitization patterns with structure	Chemical research in toxicology
8075361	19940501	Structure-activity relationships for contact allergenic potential of gamma,gamma-dimethyl-gamma-butyrolactone derivatives. 2. Quantitative structure-skin sensitization relationships for alpha-substituted-alpha-methyl-gamma,gamma-dimethyl-gamma-butyrolactone s	Chemical research in toxicology

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H318 (92.68%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P280, P305+P351+P338, and P310
Signal Word:	Danger

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8