5,5-Dimethyl-4-(3-oxo-butyl)dihydrofuran-2-one - CAS 4436-81-1
Catalog: |
BB066776 |
Product Name: |
5,5-Dimethyl-4-(3-oxo-butyl)dihydrofuran-2-one |
CAS: |
4436-81-1 |
Synonyms: |
Dihydro-5,5-dimethyl-4-(3-oxobutyl)-2(3H)-furanone; 3-(1-Hydroxyisopropyl)-6-oxoheptanoic Acid γ-Lactone; 5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone; Ketone, Homoterpenyl Methyl; NSC 127945; NSC 140621; NSC 140633; NSC 36847; NSC 45645 |
IUPAC Name: | 5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one |
Description: | 5,5-Dimethyl-4-(3-oxo-butyl)dihydrofuran-2-one can be used for developing agent composition. |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | CC(=O)CCC1CC(=O)OC1(C)C |
InChI: | InChI=1S/C10H16O3/c1-7(11)4-5-8-6-9(12)13-10(8,2)3/h8H,4-6H2,1-3H3 |
InChI Key: | AWQSAIIDOMEEOD-UHFFFAOYSA-N |
References: | Ge, Q., Faming Zhuanli Shenqing, 3, (2016). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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