Basic information
- CAS
6745-75-1- Standard SMILES
COc1cc(C)c(C=O)cc1C- InChIKey
KYHULTSMPDXSLR-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 4-Methoxy-2,5-dimethylbenzaldehyde
- IUPAC
- 4-methoxy-2,5-dimethylbenzaldehyde
- English name
- 2,5-DIMETHYL-P-ANISALDEHYDE
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
4-Methoxy-2,5-dimethylbenzaldehyde6745-75-12,5-Dimethyl-p-anisaldehydeC66CY2ZU4XDTXSID10217788RefChem:1071001DTXCID60140279229-807-82,5-Dimethyl-4-methoxybenzaldehyde2,5-Dimethyl-4-anisaldehydeMFCD000033434-Methoxy-2,5-DiMethyl-Benzaldehyde
Show more names
AKOS BC-2520ASISCHEM U980092,5-Dimethylanisaldehyde2,5-Dimethyl-p-anisaldehyde,97%
2,5-Dimethyl-para-anisaldehydeBenzaldehyde, 4-methoxy-2,5-dimethyl-EINECS 229-807-8UNII-C66CY2ZU4X4-METHOXYISOXYLALDEHYDESCHEMBL282147BBL025874CL8362
Database identifiers
- CAS
6745-75-1- PubChem CID
- 81227
- DTXSID
DTXSID10217788- UNII
- C66CY2ZU4X
- EC Number
- 229-807-8
- Nikkaji
- J298.097E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 31 · 31-35 °C(lit.)
- Boiling point
- 147 · 147-149 °C12 mm Hg(lit.)
- Density
- 1.0326 · 1.0326 (rough estimate)
- refractive index
- 1.5677 · 1.5677-1.5697
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- Appearance
- Colorless to off-white Liquid
- InChI
- 1S/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H3
- InChIKey
- KYHULTSMPDXSLR-UHFFFAOYSA-N
- SMILES
- COc1cc(C)c(C=O)cc1C
- CAS DataBase Reference
- 6745 · 6745-75-1(CAS DataBase Reference)
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2912490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses2,5-Dimethyl-4-methoxybenzaldehyde may be used in chemical synthesis studies.
Upstream & downstream products
Downstream products
Suppliers62 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
5 records
Compound notes
Loading…