1,2,3-Propanetriol, 1-acetate

Formula: C₅H₁₀O₄
Molecular weight: 134.1305
IUPAC Standard InChI: InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3
IUPAC Standard InChIKey: KMZHZAAOEWVPSE-UHFFFAOYSA-N
CAS Registry Number: 106-61-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Species with the same structure:
- Glycerol monoacetate
Other names: Acetin, 1-mono-; α-Monoacetin; Glycerol α-monoacetate; 1-Monoacetin; 2,3-Dihydroxypropyl acetate; Glycerol 1-acetate; Glycerol 1-monoacetate; (.+/-.)-2,3-Dihydroxypropyl acetate; Glycerine 1-acetate; Glyceryl 1-monoacetate; NSC 35010; 93713-40-7; Acetin; Acetic acid, monoglyceride; Monoacetyl glycerine; 1,2,3,-Propanetriol monoacetate; Monoacetin; Monacetin; Glyceryl monoacetate; Glyceryl acetate; Glycerol monoacetate; 1-Acetoxy-2,3-dihydroxypropane
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
Options:
- Switch to SI units

Phase change data

Go To: Top, IR Spectrum, Gas Chromatography, References, Notes

Data compiled by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
17.7	400.	A	Stephenson and Malanowski, 1987	Based on data from 385. to 458. K. See also Dykyj, 1972.

IR Spectrum

Go To: Top, Phase change data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Chromatography

Go To: Top, Phase change data, IR Spectrum, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1095.2	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DP-5	1091.	Vijayakumar, Duraipandiyan, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 80. C @ 1. min, 4. K/min, 300. C @ 40. min

References

Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, Notes

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Vijayakumar, Duraipandiyan, et al., 2012
Vijayakumar, A.; Duraipandiyan, V.; Jeyarai, B.; Agastian, P.; Raj, M.K.; Ignacimunthu, S., Phytochemical analysis and in vitro antimicrobial activity of Illicium griffithii Hook f. Thoms extracts, Asian Pacific J. Tropical Diseases, 2012, 2, 3, 190-199, https://doi.org/10.1016/S2222-1808(12)60045-0 . [all data]

Notes

Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, References

Symbols used in this document:

Δ_vapH Enthalpy of vaporization
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.