PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Dihydro-2(3H)-furanone; (4-Butanolide) 96-48-0
6.00
14.01
4.01
11.01
14.02
4.08
4.05
7.01
8.00
7.00
Formula Synonyms
C4.H6.O2 4-BUTYROLACTONE, 1,2-BUTANOLIDE, 1,4-BUTANOLIDE, 1-OXACYCLOPENTAN-2-ONE, 2,3,4,5-TETRAHYDRO-2-FURANONE, 2-OXOLANONE, 2-OXOTETRAHYDROFURAN, 4,5-DIHYDRO-2(3H)-FURANONE, 4-BUTANOLIDE, 4-DEOXYTETRONIC ACID, 4-HYDROXYBUTANOIC ACID LACTONE, 4-HYDROXYBUTANOIC ACID, GAMMA-LACTONE, 4-HYDROXYBUTYRIC ACID LACTONE, 4-HYDROXYBUTYRIC ACID, GAMMA-LACTONE, ALPHA-BUTYROLACTONE, BLO, BLON, BUTANOIC ACID, 4-HYDROXY-, GAMMA-LACTONE, BUTYRIC ACID LACTONE, BUTYRIC ACID, 4-HYDROXY-,GAMMA-LACTONE, BUTYRL LACTONE, BUTYROLACTONE, BUTYRYLACTONE, DIHYDRO-2(3H)-FURANONE, GAMMA BL, GAMMA-6480, GAMMA-BL, GAMMA-BUTALACTONE, GAMMA-BUTYROLACTONE, GAMMA-BUTYRYLLACTONE, GAMMA-HYDROXYBUTYRIC ACID CYCLIC ESTER, GAMMA-HYDROXYBUTYRIC ACID LACTONE, NCI-C55875, NIH 10540, PAINT CLEAN G, TETRAHYDRO-2-FURANONE
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
86.1 L -44 1.41 @ 0°C
PAC Values
PAC Values (Original Units: mg/m3)
PAC-1 PAC-2 PAC-3
3.4 37 220
Converted PAC Values (ppm)
PAC-1 PAC-2 PAC-3
0.97 11 62
Technical Basis
A review of available sources identified the following: two rat LC50 and rat oral LD50 acute toxicity data. Data sources were selected according to the hierarchy listed in Table 3.1. Toxicity data were evaluated based on the type of exposure, species, and route according to the hierarchies stated in Sections 3.3.1, 3.3.2, and using factors in Tables 3.2, 3.3, and 3.4. The concentrations were scaled to 60-minute equivalents using the ten Berge equation (Section 3.3.4). Of the two LC50, one resulted in a TEEL-3=47 mg/m3 (1056 mg/m3/4H, assumed) while another resulted in a TEEL-3=220 mg/m3 (>5000 mg/m3/4H). Dihydro-2(3H)-furanone is reported to have applications as a flavoring agent in food; the Flavor and Extract Manufacturers' Association reports expected concentrations per food category, with the maximum concentration of 20 ppm (70 mg/m3) in baked goods (1994). As this concentration appears to be safe to consume and is greater than one of the results derived from the concentration data, it is determined that the less conservative rat LC50 was more appropriate for TEEL development, and it was selected as the TEEL-3 basis. TEEL-2 and TEEL-1 were derived according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat LC50 (>5100 mg/m3/4H)
The recommended TEEL-3 is less conservative than the Rev. 29A value, where the rat oral data was chosen. Inhalation data is preferred over oral data (Section 3.3.2). The recommended TEEL-2 is less conservative, as a monkey oral TDLo dose was previously found, resulting in a discrepancy with Rev.29A TEEL-1 as well. This monkey data was not able to be confirmed in this analysis.
References
NFPA rating , general information available at: https://cameochemicals.noaa.gov/chemical/19941
NFPA rating: https://pubchem.ncbi.nlm.nih.gov/compound/gamma-Butyrolactone#section=NFPA-Hazard-Classification
For information regarding applications as a food additive, refer to “Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994).” Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 5th Ed., Boca Raton, FL 2005, p. 223. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/source/hsdb/4290#section=Manufacturing-Use-Information&fullscreen=true
Rat LC50 (>5000 mg/m3/4H) National Technical Information Service., OTS0534527. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/gamma-Butyrolactone.
Rat LC50 (1056 mg/m3, 4H assumed). Retrieved from: https://www.epa.gov/sites/default/files/2015-04/documents/butyrolactone.pdf
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