Basic information
- CAS
5355-17-9- Standard SMILES
COCc1ccc(O)cc1- InChIKey
AHXXIALEMINDAW-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Overview
4-(methoxymethyl)phenol is a member of the class of phenols that is p-cresol in which one of the methyl hydrogens has been replaced by a methoxy group. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- 4-(Methoxymethyl)phenol
- IUPAC
- 4-(methoxymethyl)phenol
- English name
- alpha-methoxy-p-cresol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
4-(Methoxymethyl)phenol5355-17-9Phenol, 4-(methoxymethyl)-p-(methoxymethyl)phenolp-hydroxybenzyl methyl ether17CJ5983VNDTXSID2074746CHEBI:133885RefChem:516299DTXCID7041463226-334-9alpha-Methoxy-p-cresol
Show more names
(4-Hydroxybenzyl)methyl etherα-methoxy-p-cresolalpha-methoxy-para-cresolalpha-Methoxy-p-cresol Phenol4-(2-METHOXYETHYL)PHENOLMETHOTREATE
4-Methoxymethylphenol4-Hydroxybenzyl methyl etherMFCD000201864-Methoxymethyl-phenolUNII-17CJ5983VNEINECS 226-334-94-(methoxymethyl)-phenolp-hydroxylbenzyl methyl ether
Database identifiers
- CAS
5355-17-9- PubChem CID
- 79310
- DTXSID
DTXSID2074746- ChEMBL
CHEMBL3929528- ChEBI
CHEBI:133885- UNII
- 17CJ5983VN
- EC Number
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85.3
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- 82.5 · 82.5-83.5 °C
- Boiling point
- 147 · 147-153 °C(Press: 11 Torr)
- Density
- 1.5319 g/cm3 · 1.5319 g/cm3(Temp: 24 °C)
- FLAVIS Number
- 4.092 · 04.092 | 4-Hydroxybenzyl methyl ether
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 9.84 · 9.84±0.26(Predicted)
- InChI
- InChI=1S/C8H10O2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,9H,6H2,1H3
- InChIKey
- AHXXIALEMINDAW-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(COC)C=C1
- LogP
- 1.19 · 1.190 (est)
- FDA UNII
- 17 CJ5983VN · 17CJ5983VN
- EPA Substance Registry System
- 4 · Phenol, 4-(methoxymethyl)- (5355-17-9)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 4-(methoxymethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2909500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-(methoxymethyl)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers60 total
广州诚创生物科技有限公司18027266590 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安徽合诺生物科技有限公司0555-2761852
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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