2-Methoxy-4-(methoxymethyl)phenol
Basic information
- CAS
5533-03-9- Standard SMILES
COCc1ccc(O)c(OC)c1- InChIKey
USDDPDQEVLAOBO-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 2-Methoxy-4-(methoxymethyl)phenol
- IUPAC
- 2-methoxy-4-(methoxymethyl)phenol
- English name
- 2-methoxy-4-(methoxymethyl)-pheno
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
2-Methoxy-4-(methoxymethyl)phenol5533-03-9Phenol, 2-methoxy-4-(methoxymethyl)-EINECS 226-882-9DTXSID40203896RefChem:474373DTXCID70126387226-882-92-methoxy-4-(methoxymethyl)-phenoMethyl vanillyl etherSCHEMBL116859U8S4BRR944
Show more names
Methylvanillyl etherPhenol, 2-methoxy-4-(methoxymethyl)
SCHEMBL29639708MFCD247134492-Methoxy-4-(methoxymethyl)phenol #4-hydroxy-3-methoxybenzyl methyl etherHS-3465SY264226DB-277450NS00012834
Database identifiers
- CAS
5533-03-9- PubChem CID
- 79662
- DTXSID
DTXSID40203896- UNII
- U8S4BRR944
- EC Number
- 226-882-9
- Nikkaji
- J210.577B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Methyl vanillyl ether) -> IFRA transparency List
Physicochemical properties
- Melting point
- 34 · 34-35 °C
- Boiling point
- 260 ℃[at · 260℃[at 101 325 Pa]
- Density
- 1.148 · 1.148[at 20℃]
- vapor pressure
- 0.23 Pa · 0.23Pa at 24℃
- pka
- 9.9 · 9.90±0.31(Predicted)
- Water Solubility
- 2.15 g/L · 2.15g/L at 24℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 0.7 at · 0.7 at 25℃
- EPA Substance Registry System
- 2 · Phenol, 2-methoxy-4-(methoxymethyl)- (5533-03-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
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
This chemical does not meet GHS hazard criteria for 94.1% (223 of 237) of all reports.
Not Classified
Aggregated GHS information provided per 237 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phenol, 2-methoxy-4-(methoxymethyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-methoxy-4-(methoxymethyl)phenol (EC: 226-882-9)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
IFRA Fragrance Standards
Methyl vanillyl ether
Methyl vanillyl ether; 2-Methoxy-4-(methoxymethyl)phenol; Phenol, 2-methoxy-4-(methoxymethyl)-; 4-Hydroxy-3-methoxybenzyl methyl ether; Mevanyl (commercial name); Vani-White (commercial name)
IFRA_STD_257.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing InformationPhenol, 2-methoxy-4-(methoxymethyl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.065 [Products applied to the lips]
0.080 [Products applied to the axillae]
0.065 [Products applied to the face/body using fingertips]
1.5 [Products related to fine fragrances]
0.38 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.065 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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