CAS 13398-94-2 3-Hydroxyphenethyl alcohol (HCID 83404)

Names & identifiers

Preferred name: 3-Hydroxyphenethyl alcohol
IUPAC: 3-(2-hydroxyethyl)phenol
English name: 3-HYDROXYPHENETHYL ALCOHOL
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

3-Hydroxyphenethyl alcohol2D3F6MU88ZEINECS 236-485-2NSC-101846DTXSID40158438NSC 101846RefChem:502585DTXCID8080929236-485-213398-94-23-(2-Hydroxyethyl)phenol2-(3-Hydroxyphenyl)ethanol

Show more names

m-Tyrosol2-(3-Hydroxyphenyl)ethanol 99%

Benzeneethanol, 3-hydroxy-3-Hydroxybenzeneethanol3-HydroxyphenethylalcoholMFCD00002895Phenethyl alcohol, m-hydroxy-m-Hydroxyphenethyl alcoholm-Phenethyl alcoholUNII-2D3F6MU88Z

Database identifiers

CAS: 13398-94-2
PubChem CID: 83404
DTXSID: DTXSID40158438
ChEMBL: CHEMBL54498
UNII: 2D3F6MU88Z
EC Number: 236-485-2
Nikkaji: J119.464J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 93

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1384

2318；2415

Physicochemical properties

Boiling point: 168 · 168-173 °C/4 mmHg (lit.)
Density: 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.564(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 9.89 · 9.89±0.10(Predicted)
Appearance: Colorless to light yellow Viscous liquid
BRN: 2433753 · 2433753
InChI: 1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2
InChIKey: AMQIPHZFLIDOCB-UHFFFAOYSA-N
SMILES: OCCc1cccc(O)c1
LogP: 0.827 · 0.827 (est)
FDA UNII: 2 D3F6MU88Z · 2D3F6MU88Z
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 10 · 10
HS Code: 2907290090 · 2907290090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, 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.；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.