Basic information
- CAS
69844-32-2- Standard SMILES
CCC(C)C(=O)Oc1cc(C)ccc1C(C)C- InChIKey
NBUBCJBQVQEAAC-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- Butanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
- IUPAC
- (5-methyl-2-propan-2-ylphenyl) 2-methylbutanoate
- English name
- Butanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33398
Names & synonyms
69844-32-2Butanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl esterThymyl 2-methylbutyrate2-Isopropyl-5-methylphenyl 2-methylbutanoate(5-methyl-2-propan-2-ylphenyl) 2-methylbutanoatestarbld00494005-Methyl-2-(propan-2-yl)phenyl 2-methylbutanoateorb1680868DTXSID00990114NBUBCJBQVQEAAC-UHFFFAOYSA-NUCA84432TN5867
Show more names
Thymyl2-methylbutanoate5-Methyl-2-(1-methylethyl)phenyl 2-methylbutanoate
AKOS017177067(2-isopropyl-5-methyl-phenyl) 2-methylbutanoate
Database identifiers
- CAS
69844-32-2- PubChem CID
- 155339
- DTXSID
DTXSID00990114- Nikkaji
- J498.747K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 294.9 · 294.9±9.0 °C(Predicted)
- Density
- 0.963 · 0.963±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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