1-methoxypropan-2-yl acetate

• ChemBase ID: 106222
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: COCC(C)OC(=O)C
• Canonical SMILES: COCC(OC(=O)C)C
• InChI: InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
• InChIKey: LLHKCFNBLRBOGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxypropan-2-yl acetate
• IUPAC Traditional name: 1-methoxypropan-2-yl acetate
• Synonyms: MPA; PGMEA; 1,2-Propanediol monomethyl ether acetate; 1-Methoxy-2-propyl acetate; Propylene glycol methyl ether acetate; Propylene glycol monomethyl ether acetate; PROPYLENE GLYCOL METHYL ETHER ACETATE, CERTIFIED G; DOWANOL® PMA; Propylene glycol monomethyl ether acetate; 1,2-Propanediol monomethyl ether acetate; 丙二醇一甲醚乙酸酯; 丙二醇甲醚醋酸酯; 乙酸-1-甲氧基-2-丙基酯; 丙二醇单甲醚乙酸酯; 1,2-丙二醇单甲醚醋酸酯

Database IDs

• CAS Number: 108-65-6
• EC Number: 203-603-9
• MDL Number: MFCD00038500
• Beilstein Number: 1751656
• PubChem SID: 162105921; 24878232; 24871950; 24887961
• PubChem CID: 7946

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.29214785
• LogD (pH = 7.4): 0.29214785
• Log P: 0.29214785
• Molar Refractivity: 32.8751 cm^3
• Polarizability: 13.281858 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -67°C
• Boiling Point: 145-146 °C; 145-146 °C(lit.); 145-146°C
• Flash Point: 109.4 °F; 43 °C; 43°C(109°F)
• Auto Ignition Point: 669 °F
• Density: 0.968; 0.970 g/mL at 25 °C(lit.)
• Refractive Index: 1.4020; n20/D 1.402; n20/D 1.402(lit.)
• Vapor Pressure: 3.7 mmHg ( 20 °C)

Safety Information

• RTECS: AI8920000; AI8925000
• UN Number: 3271; UN3272
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10
• Safety Statements: 2
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• Explode Limits: 13.1 %
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 3

Pharmacology Properties

• Gene Information: human ... AR(367), IMPDH2(3615), NR3C1(2908), PGR(5241)

Product Information

• Purity: ≥99.0% (GC); ≥99.5%; 99%; 99%, stab. with 50ppm BHT
• Grade: puriss.; ReagentPlus®
• Linear Formula: CH3CO2CH(CH3)CH2OCH3

DETAILS

Sigma Aldrich - 484431

Packaging
1, 4 L in glass bottle
18 L in steel drum
Legal Information
Product of Dow Chemical®Trademark of The Dow Chemical Company
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
DOWANOL is a registered trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 537543

Packaging
1, 3 L in glass bottle
20 L in steel drum