Basic information
- CAS
3709-08-8- Standard SMILES
CC1(C)CCOC1=O- InChIKey
UPVAIJPDWVTFKT-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,2-Dimethyl-4-butyrolactone
- IUPAC
- 3,3-dimethyloxolan-2-one
- English name
- alpha,alpha-Dimethyl-gamma-butyrolactone
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
3709-08-82(3H)-Furanone, dihydro-3,3-dimethyl-2,2-Dimethyl-4-butyrolactonealpha-DMgBL6MQY4D3RG7NSC-1094DTXSID30190584RefChem:441365DTXCID70113075alpha, alpha-dimethyl-gamma-butyrolactonealpha,alpha-Dimethyl-gamma-butyrolactone3,3-dimethyldihydrofuran-2(3h)-one
Show more names
-Dimethyl-γ3,3-dimethyloxolan-2-oneGAMMA-DIMETHYL BUTYROLACTONEα,α-Dimethyl-γ-butyrolactoneα,α-Dimethyl-γ-butyrolactrone3,3-dimethyldihydrofuran-2(3H)α,α-Dimethyl-γ-butyrolactone>
3,3-dimethyloxolan-2-oneMFCD03844788Dihydro-3,3-dimethyl-2(3H)-furanone2,2-dimethylbutyrolactoneButyric acid, 2,2-dimethyl-4-hydroxy-, g-lactoneFuranone, dihydrodimethyl-DimethylbutanolidNSC1094
Database identifiers
- CAS
3709-08-8- PubChem CID
- 94746
- DTXSID
DTXSID30190584
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 6 °C · 6 °C
- Boiling point
- 194 °C · 194 °C / 27mmHg
- Density
- 1.01 · 1.01
- refractive index
- 1.43 · 1.4300-1.4340
- form
- clear liquid
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C6H10O2/c1-6(2)3-4-8-5(6)7/h3-4H2,1-2H3
- InChIKey
- UPVAIJPDWVTFKT-UHFFFAOYSA-N
- SMILES
- O1CCC(C)(C)C1=O
- FDA UNII
- 6 MQY4D3RG7 · 6MQY4D3RG7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319
Safety & regulation
GHS classification
GHS Classification
Warning
H227 (66.7%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (66.7%)
Safety data
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H315-H319
- Precautionary statements
- P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
19 records
Compound notes
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