3-Phenoxy 1-propanol

HCID 80319CAS 6180-61-6

Substructure search Find similar structures

Basic information

Standard SMILES: OCCCOc1ccccc1
InChIKey: AWVDYRFLCAZENH-UHFFFAOYSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Overview

See also: Phenol, propoxylated (annotation moved to) ... View More ...

Names & identifiers

Preferred name: 3-Phenoxy 1-propanol
IUPAC: 3-phenoxypropan-1-ol
English name: 3-Phenoxy-1-propanol
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

3-Phenoxy-1-propanol3-Phenoxypropan-1-ol6180-61-61-Propanol, 3-phenoxy-3-Phenoxy 1-propanol515PBP1U72EINECS 228-228-8NSC-75459AI3-17385DTXSID60210805NSC 754593-PHENOXY 1-PROPANOL [WHO-DD]

Show more names

3-Phenoxypropan-1-ol.3-Phenoxy-1-propanol >Propanediol phenyl ether3-Phenoxy-1-propanol,97%3-PHENOXY-1-PROPANOL 97%3-Phenoxy-1-propanol(PPH)3-Phenoxy-1-propanol, GC 97%3-Phenoxy-1-propanol, ≥ 98.0%

RefChem:504771DTXCID50133296MFCD000395493-phenyloxypropanolUNII-515PBP1U723-phenoxypropanolNSC75459(3-phenoxy)-propanol

Database identifiers

CAS: 6180-61-6
PubChem CID: 80319
DTXSID: DTXSID60210805
UNII: 515PBP1U72
EC Number: 228-228-8
Nikkaji: J211.443G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 87.6

Physicochemical properties

Boiling point: 83 · 83-85 °C
Density: 1.04 · 1.04
refractive index: 1.528 · 1.528-1.53
storage temp.: Store at room temperature
pka: 14.87 · 14.87±0.10(Predicted)
form: Liquid
color: Clear colorless
λmax: 260 nm · 260nm(lit.)
CAS DataBase Reference: 6180 · 6180-61-6(CAS DataBase Reference)
FDA UNII: 515 PBP1U72 · 515PBP1U72
NIST Chemistry Reference: 1 · 1-Propanol, 3-phenoxy-(6180-61-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 24 · 24/25-37/39-26
HS Code: 29094980 · 29094980

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29094980
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25-37/39-26
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Phenoxy-1-propanol is widely used as a cosolvent in architectural coatings, high-grade automotive coatings and automotive repair coatings, electrophoretic coatings, marine container coatings, wood coatings, coil coatings and coil steel coatings.