PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Coumarin 91-64-5
5.10
8.00
6.00
4.10
11.00
3.10
3.02
10.00
15.02
3.09
Formula Synonyms
C9.H6.O2 COUMARIN, 1,2-BENZOPYRONE, 2-OXO-1,2-BENZOPYRAN, 2-OXO-2H-1-BENZOPYRAN, 2-PROPENOIC ACID, 3-(2-HYDROXYPHENYL)-, DELTA-LACTONE, 2H-1-BENZOPYRAN-2-ONE, 5,6-BENZO-2-PYRONE, BENZO-ALPHA-PYRONE, CIS-O-COUMARINIC ACID LACTONE, COUMARINAC LACTONE, COUMARINIC ANHYDRIDE, CUMARIN, NCI-C07103, O-COUMARIC ACID LACTONE, O-HYDROXYCINNAMIC ACID DELTA-LACTONE, O-HYDROXYCINNAMIC ACID LACTONE, O-HYDROXYCINNAMIC LACTONE, RATTEX, TONKA BEAN CAMPHOR
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
146.15 S 0.935
PAC Values
PAC Values (Original Units: mg/m3)
PAC-1 PAC-2 PAC-3
0.88 9.7 58
Converted PAC Values (ppm)
PAC-1 PAC-2 PAC-3
0.15 1.6 9.7
Technical Basis
A review of available sources identified several acute toxicity data (LD50, TDLo) for various species and routes. Data sources were selected according to the hierarchy listed in Table 3.1. Toxicity data were selected according to type of exposure, species, and route according to the hierarchies stated in Sections 3.3.1, 3.3.2, and evaluated using factors in Tables 3.2, 3.3, and 3.4. The LD50 of the most preferred species and route, a rat oral LD50, was selected as the TEEL-3 basis. Multiple human (male & female) oral TDLo were available for the TEEL-2 basis; however, they were intermittent exposures ranging from 30 days to 17 weeks. As such, they were not selected for TEEL development. TEEL-1 and TEEL-2 values were derived according to Table 3.5.
• PAC-1 = TEEL-1 = TEEL-2/11
• PAC-2 = TEEL-2 = TEEL-3/6
• PAC-3 = TEEL-3 = Rat oral LD50 (293 mg/kg)
This review generated PAC values that are consistent with Rev. 29A*.
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/Coumarin.
Rat oral LD50: Food and Cosmetics Toxicology., 12(385), 1974 [PMID:4442818]. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/Coumarin
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PAC values marked with a subscript "A" correspond to 60-minute AEGL values.
PAC values marked with a subscript "E" correspond to ERPG values.
PAC values marked by * are >= 10% lower explosive limit (LEL) but < 50% LEL.
PAC values marked by ** are > 50% LEL but < 100% LEL.
PAC values marked by *** are >= LEL.