CAS 1065076-45-0 4-Ethyl-5-fluoro-2-methoxyphenol (HCID 45933640)

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Basic information

CAS: 1065076-45-0
Standard SMILES: CCc1cc(OC)c(O)cc1F
InChIKey: KJKDEXSEEDJRNQ-UHFFFAOYSA-N
Molecular formula: C9H11FO2
Average molar mass: 170.18 g/mol
Monoisotopic mass: 170.07430781

Names & identifiers

Preferred name: 4-Ethyl-5-fluoro-2-methoxyphenol
IUPAC: 4-ethyl-5-fluoro-2-methoxyphenol
English name: 4-Ethyl-5-fluoro-2-methoxyphenol
Molecular formula: C9H11FO2
Molecular weight: 170.18

Names & synonyms

4-Ethyl-5-fluoro-2-methoxyphenol1065076-45-0DTXSID50672872RefChem:292603DTXCID90623621823-005-7MFCD11101442SCHEMBL1498704KJKDEXSEEDJRNQ-UHFFFAOYSA-N4-ethyl-5-fluoro-2-methoxy-phenolSBB088411AKOS024259712

Show more names

Phenol, 4-ethyl-5-fluoro-2-methoxy-5-Ethyl-4-fluoro-2-hydroxyanisole, 4-Ethyl-5-fluoro-o-guaiacol5-Ethyl-4-fluoro-2-hydroxyanisole, 5-Ethyl-4-fluoro-2-hydroxyphenyl methyl ether

PS-6594DB-367780CS-0211160

Database identifiers

CAS: 1065076-45-0
PubChem CID: 45933640
DTXSID: DTXSID50672872
EC Number: 823-005-7

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 140

Physicochemical properties

form: liquid
color: Clear, colourless
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 280 · P280
Hazard Codes: C
HS Code: 2909500090 · 2909500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, 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.