Completing data — refresh the page later to see the latest
Basic information
- CAS
24306-23-8- Standard SMILES
COC(=O)CCCc1ccc(C)cc1- InChIKey
RWYCVUAUOUCQAN-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 4-(4-Tolyl)butanoic acid methyl ester
- IUPAC
- methyl 4-(4-methylphenyl)butanoate
- English name
- p-Methylbenzenebutyric acid methyl ester
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
24306-23-84-(4-Tolyl)butanoic acid methyl esterDTXSID40179042RefChem:288252DTXCID70101533methyl 4-(4-methylphenyl)butanoateMethyl 4-p-tolylbutanoatep-Methylbenzenebutyric acid methyl esterButyric acid, 4-p-tolyl-, methyl esterBenzenebutanoic acid, 4-methyl-, methyl esterMethyl 4-(p-tolyl)butanoateMethyl 4-(p-tolyl)-butyrate
Show more names
SCHEMBL1928824RWYCVUAUOUCQAN-UHFFFAOYSA-NAKOS000348978DB-172207
Database identifiers
- CAS
24306-23-8- PubChem CID
- 32282
- DTXSID
DTXSID40179042- Nikkaji
- J103.922I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- form
- liquid
- InChIKey
- RWYCVUAUOUCQAN-UHFFFAOYSA-N
- SMILES
- O(C)C(=O)CCCc1ccc(cc1)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- Storage Class
- 10 · 10 - Combustible liquids
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
- wgk
- WGK 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
3 records
Compound notes
Loading…