Basic information
- CAS
4436-30-0- Standard SMILES
CCCCCC1(C)Oc2ccccc2O1- InChIKey
PELGNAVQBDNQGI-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-methyl-2-pentyl-
- IUPAC
- 2-methyl-2-pentyl-1,3-benzodioxole
- English name
- 2-methyl-2-pentyl-1,3-benzodioxole
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28082
Names & synonyms
2-Methyl-2-pentyl-1,3-benzodioxole4436-30-01,3-Benzodioxole, 2-methyl-2-pentyl-EINECS 224-647-5NSC 27561DTXSID8063460RefChem:72470DTXCID7040312224-647-5PELGNAVQBDNQGI-UHFFFAOYSA-N2-Heptanone, cyclic o-phenylene acetalWYX5U2V2AZ
Show more names
NSC-27561NSC275612-methyl-2-pentylbenzo[d][1,3]dioxole2-Methyl-2-pentyl-2H-1,3-benzodioxoleUNII-WYX5U2V2AZSCHEMBL11004277Benzene, 1,2-(1-methylhexylidenedioxy)-NS00031420
Database identifiers
- CAS
4436-30-0- PubChem CID
- 78173
- DTXSID
DTXSID8063460- UNII
- WYX5U2V2AZ
- EC Number
- 224-647-5
- Nikkaji
- J205.817K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- FDA UNII
- 5 U2V2AZ · WYX5U2V2AZ
- EPA Substance Registry System
- 1 · 1,3-Benzodioxole, 2-methyl-2-pentyl- (4436-30-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzodioxole, 2-methyl-2-pentyl-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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