1,1,1-triethoxypropane

• ChemBase ID: 104744
• Molecular Formular: C9H20O3
• Molecular Mass: 176.2533
• Monoisotopic Mass: 176.1412445
• SMILES: CCOC(CC)(OCC)OCC
• Canonical SMILES: CCC(OCC)(OCC)OCC
• InChI: InChI=1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3
• InChIKey: FGWYWKIOMUZSQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-triethoxypropane
• IUPAC Traditional name: triethylorthopropionate
• Synonyms: ETHYL ORTHOPROPIONATE; Triethyl orthopropionate; Ethyl orthopropionate; Orthopropionic acid triethyl ester; 1,1,1-Triethoxypropane; TRIETHYL ORTHOPROPIONATE; 原丙酸三乙酯

Database IDs

• CAS Number: 115-80-0
• EC Number: 204-108-0
• MDL Number: MFCD00009226
• Beilstein Number: 906798
• PubChem SID: 162092225; 24900343
• PubChem CID: 66995

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.596218
• LogD (pH = 7.4): 2.596218
• Log P: 2.596218
• Molar Refractivity: 49.1098 cm^3
• Polarizability: 19.390432 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 155-160 °C(lit.); 158°C
• Flash Point: 140 °F; 45°C(113°F); 60 °C
• Density: 0.876 g/mL at 25 °C(lit.); 0.88 g/ml; 0.880
• Refractive Index: 1.4020; n20/D 1.402(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 3272; UN3272
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38; 22-36/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H319; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: 95+%; 97%; 98%
• Linear Formula: CH3CH2C(OC2H5)3

DETAILS

MP Biomedicals - 02157014

1 ml = approx. 0.88 g

MP Biomedicals - 05211924

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T60607

Packaging
5, 100, 500 mL in glass bottle