CAS 111-45-5 Ethylene glycol monoallyl ether (HCID 8116)

Overview

a colorless fluid with a slight "mushroom" smell; structure in first source

Names & identifiers

Preferred name: Ethylene glycol monoallyl ether
IUPAC: 2-prop-2-enoxyethanol
English name: 2-Allyloxyethanol
Molecular formula: C5H10O2
Molecular weight: 102.13

Names & synonyms

2-Allyloxyethanol111-45-5Ethylene glycol monoallyl etherEthanol, 2-(2-propenyloxy)-Allyl cellosolveETHANOL, 2-(ALLYLOXY)-2-allyloxyethyl alcohol852300B9QSDTXSID0059401RefChem:462903DTXCID30331972-(Allyloxy)ethanol

Show more names

allylcellosolveEGMAEusafdo-47oxyethanoL

Allyl glycol27274-31-32-AlloxyethanolEthylene glycol allyl ether2-prop-2-enoxyethanolUSAF DO-472-(2-Propenyloxy)ethanolAllyl 2-hydroxyethyl ether

Database identifiers

CAS: 111-45-5
PubChem CID: 8116
DTXSID: DTXSID0059401
UNII: 852300B9QS
EC Number: 203-871-7、936-588-9
Nikkaji: J38.384H

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 43.3

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 159 °C · 159 °C(lit.)
Density: 0.955 g/mL · 0.955 g/mL at 25 °C(lit.)
vapor pressure: 1.842 hPa · 1.842hPa at 25℃
refractive index: 20 · n20/D 1.436(lit.)
Flash point: 150 °F · 150 °F
storage temp.: 2 · 2-8°C
solubility: Completely miscible in water
form: clear liquid
pka: 14.5 · 14.50±0.10(Predicted)
Specific Gravity: 0.955 · 0.955
color: Colorless to Almost colorless
Odor: mild mushroom
Water Solubility: 454 g/L · 454g/L at 25℃
InChI: 1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
InChIKey: GCYHRYNSUGLLMA-UHFFFAOYSA-N
SMILES: C=CCOCCO
LogP: -0.12 at · -0.12 at 20℃
CAS DataBase Reference: 111 · 111-45-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 852300 B9QS · 852300B9QS
NIST Chemistry Reference: 2 · Ethanol, 2-(2-propenyloxy)-(111-45-5)
EPA Substance Registry System: 2 · Ethanol, 2-(2-propenyloxy)- (111-45-5)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 315 · H315-H318
Precautionary statements: 280 · P280-P305+P351+P338+P310
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 38 · 38-41-36/37/38
Safety Statements: 26 · 26-39-45-36/37/39
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 2 · 2
RTECS: 5425000 · KJ5425000
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29094990 · 29094990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 127 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

Hazard information

Regulatory InformationStatus: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30749

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (99.2%)

Skin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
rtecs: KJ5425000
ridadr: NA 1993 / PGIII
hs_code: 29094990
risk_code: 38-41-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
safety_code: 26-39-45-36/37/39
hazard_class: 3
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H315-H318
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Skin Irrit. 2
Precautionary statements: P280-P305+P351+P338+P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-(2-propen-1-yloxy)-: ACTIVE

Applications · 1 item

Uses2-allyloxyethanol could synthesize a new ester (Las9) with lasalocid. Las9 could form complexes with LiC, NaC, KC, RbC, and CsC cations. 2-allyloxyethanol could be used as an end-capping reagent to synthesize 2-allyloxyethanol-terminated polyurethane which is a modifier of polyurethane-modified polydimethylsiloxane (PUMS) coating[1-2].