CAS 1589-49-7 3-Methoxy-1-propanol (HCID 74116)

Names & identifiers

Preferred name: 3-Methoxy-1-propanol
IUPAC: 3-methoxypropan-1-ol
English name: 3-Methoxy-1-propanol
Molecular formula: C4H10O2
Molecular weight: 90.12

Names & synonyms

3-METHOXY-1-PROPANOL1589-49-71-Propanol, 3-methoxy-3-methoxypropanolTrimethylene glycol monomethyl etherbeta-PGME1-Methoxy-3-hydroxypropaneUNII-OAK281WZ1POAK281WZ1PPropylene glycol monomethyl ether, betaBRN 17312043-(methyloxy)propan-1-ol

Show more names

3-METHOXYPROPAN-1-OLMPOL3-METHOXYPROPANOL-13-methoxy-1-propano3-METHOXYPROPANE-1-OLMethoxypropanol Ethers3-IODO-2-FLUOROPYRIDINE

DTXSID90731294-01-00-02494 (Beilstein Handbook Reference)Propylene glycol monomethyl ether, .beta..BETA.-PROPYLENE GLYCOL MONOMETHYL ETHERRefChem:94556BETA-PROPYLENE GLYCOL MONOMETHYL ETHERDTXCID5035113605-167-9

Database identifiers

CAS: 1589-49-7
PubChem CID: 74116
DTXSID: DTXSID9073129
UNII: OAK281WZ1P
EC Number: 433-230-9、605-167-9
Nikkaji: J13.131H

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 6
Formal charge: 0
Complexity: 21.5

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

LogP-0.44

Physicochemical properties

Melting point: -84.2 °C · -84.2°C (estimate)
Boiling point: 150 · 150-152 °C
Density: 0.942 g/mL · 0.942 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.413
Flash point: 38 °C · 38°C
storage temp.: Sealed in dry,Room Temperature
Water Solubility: Completely miscible in water
form: Liquid
pka: 14.89 · 14.89±0.10(Predicted)
color: Clear colorless
Specific Gravity: 0.942 · 0.942
BRN: 1731204 · 1731204
InChI: 1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChIKey: JDFDHBSESGTDAL-UHFFFAOYSA-N
SMILES: COCCCO
LogP: -0.284 · -0.284 (est)
CAS DataBase Reference: 1589 · 1589-49-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 281 WZ1P · OAK281WZ1P
NIST Chemistry Reference: Trimethylene glycol monomethyl ether(1589-49-7)
EPA Substance Registry System: Trimethylene glycol monomethyl ether (1589-49-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P370+P378
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 10 · 10-38-36/38
Safety Statements: 16 · 16-37-26
RIDADR: 1987 · UN 1987 3/PG 3
WGK Germany: 1 · 1
RTECS: 7650000 · UB7650000
HazardClass: FLAMMABLE
PackingGroup: III
HS Code: 29094990 · 29094990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Hazard information

Regulatory InformationStatus: Active Update: 05-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18024

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
rtecs: UB7650000
ridadr: UN 1987 3/PG 3
hs_code: 29094990
risk_code: 10-38-36/38
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi,F
safety_code: 16-37-26
hazard_class: FLAMMABLE
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
REACH Registrations: Active
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P370+P378

Chemistry & industry

Applications · 3 items

Uses3-Methoxy-1-propanol can be used as an intermediate in organic synthesis and a pharmaceutical chemical reagent. It can be applied to the modification and derivatization of drug molecules and bioactive molecules. For example, 3-Methoxy-1-propanol can be used in the synthesis of the drug molecule rabeprazole. Rabeprazole is suitable for peptic ulcers, reflux esophagitis and Zollinger-Ellison syndrome. It has an inhibitory effect on both basal gastric acid and gastric acid secretion caused by stimulation.

Uses3-Methoxy-1-propanol is a primary alcohol. Kinetics of the reactions of 3-methoxy-1-propanol with phenyl isocyanate in the presence of metal catalysts has been reported. Selective synthesis of 3-methoxy-1-propanol from methanol and allyl alcohol with metal oxides and zeolites catalysts in the liquid phase has been studied.

General Description3-Methoxy-1-propanol is a primary alcohol. Kinetics of the reactions of 3-methoxy-1-propanol with phenyl isocyanate in the presence of metal catalysts has been reported. Selective synthesis of 3-methoxy-1-propanol from methanol and allyl alcohol with metal oxides and zeolites catalysts in the liquid phase has been studied.