2-(2,4-Dichlorophenoxy)ethanol

HCID 8444

Notes Reactions

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Basic information

CAS: 120-67-2
Standard SMILES: OCCOc1ccc(Cl)cc1Cl
InChIKey: PCCMNBRZMKANQD-UHFFFAOYSA-N
Molecular formula: C8H8Cl2O2
Average molar mass: 207.05 g/mol
Monoisotopic mass: 205.9901349

Names & identifiers

Preferred name: 2-(2,4-Dichlorophenoxy)ethanol
IUPAC: 2-(2,4-dichlorophenoxy)ethanol
English name: 2-(2,4-DICHLOROPHENOXY)ETHANOL
Molecular formula: C8H8Cl2O2
Molecular weight: 207.05

Names & synonyms

2-(2,4-DICHLOROPHENOXY)ETHANOL120-67-2Ethanol, 2-(2,4-dichlorophenoxy)-o,p-Dichlorophenoxyethanol2,4-Dichlorphenyl cellosolveCellosolve, 2,4-dichlorophenyl-EINECS 204-416-5UNII-N34K7N6Q37BRN 2048896AI3-03885NSC-423N34K7N6Q37

Show more names

2,4-dichlorphenylcellosolve2,4-dichlorophenyl-cellosolv2-(2,4-dichlorophenoxy)-ethano

2-(2',4'-Dichlorophenoxy) ethanol2,4-Dichlorophenoxyethanol2,4-Dichlorophenyl cellosolve4-06-00-00889 (Beilstein Handbook Reference)RefChem:83912204-416-5PCCMNBRZMKANQD-UHFFFAOYSA-N2-(2,4-dichlorophenoxy)ethan-1-ol

Database identifiers

CAS: 120-67-2、14866-28-5
PubChem CID: 8444
DTXSID: DTXSID70870474
UNII: N34K7N6Q37
EC Number: 204-416-5
Nikkaji: J34.789B

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 54 °C · 54°C
Boiling point: 297.35 °C · 297.35°C (rough estimate)
Density: 1.3354 · 1.3354 (rough estimate)
refractive index: 1.5537 · 1.5537 (estimate)
pka: 14.11 · 14.11±0.10(Predicted)
CAS DataBase Reference: 120 · 120-67-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 34 K7N6Q37 · N34K7N6Q37
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 2902 · 2902
HazardClass: 6.1 · 6.1(b)
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.