3-Ethoxyphenol

HCID 69306CAS 621-34-1

Substructure search Find similar structures

Basic information

Standard SMILES: CCOc1cccc(O)c1
InChIKey: VBIKLMJHBGFTPV-UHFFFAOYSA-N
Molecular formula: C8H10O2
Average molar mass: 138.16 g/mol
Monoisotopic mass: 138.06807956

Names & identifiers

Preferred name: 3-Ethoxyphenol
IUPAC: 3-ethoxyphenol
English name: 3-Ethoxyphenol
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

3-EthoxyphenolPhenol, 3-ethoxy-m-EthoxyphenolPhenol, m-ethoxy-Resorcinol monoethyl etherUNII-IKY4O3474AIKY4O3474ANSC 4875NSC-4875EINECS 210-681-8AI3-00795DTXSID9060734

Show more names

NSC48753-ethoxy-pheno3-Ethoxyphenol>3-Ethoxyphenol,98%

RefChem:93799Phenol, m-ethoxy-(8CI)DTXCID9043229210-681-8InChI=1/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1HVBIKLMJHBGFTPV-UHFFFAOYSA-N621-34-13-ethoxy-phenol

Database identifiers

CAS: 621-34-1
PubChem CID: 69306
DTXSID: DTXSID9060734
ChEMBL: CHEMBL449241
UNII: IKY4O3474A
EC Number: 210-681-8
Nikkaji: J79.756A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 93.3

Physicochemical properties

Melting point: 28 · 28-31℃
Boiling point: 131 °C · 131 °C (10 mmHg)
Density: 1.07 · 1.07
refractive index: 1.539 · 1.539-1.541
Flash point: 93 °C · >93°C
storage temp.: Sealed in dry,Room Temperature
form: powder to lump to clear liquid
pka: 1 · pK1:9.655 (25°C)
color: White or Colorless to Light yellow to Light orange
Water Solubility: insoluble
Dielectric constant: 11 · 11.0(28℃)
LogP: 1.98 · 1.980
CAS DataBase Reference: 621 · 621-34-1(CAS DataBase Reference)
FDA UNII: 4 O3474A · IKY4O3474A
NIST Chemistry Reference: 3 · 3-Ethoxyphenol(621-34-1)
EPA Substance Registry System: 3 · Phenol, 3-ethoxy- (621-34-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 37 · 37/39-26
TSCA: TSCA listed
HS Code: 2909500090 · 2909500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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

tsca: TSCA listed
hs_code: 2909500090
risk_code: 36/37/38-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338