Basic information
- CAS
1329-97-1- Standard SMILES
COc1cc(C)c(O)c(C)c1- InChIKey
UCHRDYUBDZOFBJ-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- Methylcreosol (mixed isomers)
- IUPAC
- 4-methoxy-2,6-dimethylphenol
- English name
- methoxyxylenol
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19038
Names & synonyms
Methoxyxylenol1329-97-1Phenol, methoxydimethyl-EINECS 215-531-5720BFP0VATXylenol, methoxy-METHYLCREOSOLRefChem:818548215-531-54-methoxy-2,6-dimethylphenol2431-91-6Phenol,4-methoxy-2,6-dimethyl-
Show more names
MFCD14537195NSC1284074-Methoxy-2,6-xylenol3,5-dimethyl-4-hydroxyanisoleUNII-720BFP0VAT2,6-Dimethyl-4-MethoxyphenolSCHEMBL30470274-methoxy-2,6-dimethyl-phenol
Database identifiers
- CAS
1329-97-1、2431-91-6- PubChem CID
- 73996
- DTXSID
DTXSID90862639- ChEMBL
CHEMBL4279474- EC Number
- 215-531-5、884-403-4
- Nikkaji
- J401.774I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- FDA UNII
- 720 BFP0VAT · 720BFP0VAT
- EPA Substance Registry System
- Phenol, methoxydimethyl- (1329-97-1)
- 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.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, methoxydimethyl-: INACTIVE
Suppliers14 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
1 records
Compound notes
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