2-Allyl-6-methylphenol
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Basic information
- CAS
3354-58-3- Standard SMILES
C=CCc1cccc(C)c1O- InChIKey
WREVCRYZAWNLRZ-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 2-Allyl-6-methylphenol
- IUPAC
- 2-methyl-6-prop-2-enylphenol
- English name
- 2-ALLYL-6-METHYLPHENOL
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
2-Allyl-6-methylphenol3354-58-36-Allyl-o-cresolPhenol, 2-methyl-6-(2-propenyl)-2-ALLYL-6-METHYL-PHENOL2-methyl-6-(prop-2-en-1-yl)phenol2-methyl-6-allylphenolBGU079WOI3EINECS 222-124-6NSC-60286AI3-17108DTXSID50187198
Show more names
AI317108-6-methyLAI3 17108
NSC 60286RefChem:462897DTXCID60109689222-124-62-methyl-6-prop-2-enylphenol6-Allyl-2-cresolo-Cresol, 6-allyl-6-Allyl-2-methylphenol
Database identifiers
- CAS
3354-58-3- PubChem CID
- 76883
- DTXSID
DTXSID50187198- UNII
- BGU079WOI3
- EC Number
- 222-124-6
- Nikkaji
- J48.504G
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 77 °C · 77 °C
- Boiling point
- 231 · 231-233 °C(lit.)
- Density
- 0.992 g/mL · 0.992 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.538(lit.)
- Flash point
- 202 °F · 202 °F
- form
- liquid
- pka
- 10 · 10+-.0.10(Predicted)
- CAS DataBase Reference
- 3354 · 3354-58-3
- FDA UNII
- 79 WOI3 · BGU079WOI3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3145 8/PG 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Suppliers
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Related reactions
7 records
Compound notes
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