Pivalolactone.
Names
[ CAS No. ]:
1955-45-9
[ Name ]:
Pivalolactone.
[Synonym ]:
3,3-dimethylpropiolactone
Dimethyl propiolactone
3,3-dimethyl-oxetan-2-one
PPIVALOLACTONE
3,3-DIMETHYL-2-OXETANONE
2,2-Dimethyl-3-hydroxypropanoic acid lactone
Pivalolactone
Chemical & Physical Properties
[ Density]:
1.032g/cm3
[ Boiling Point ]:
131.6ºC at 760 mmHg
[ Molecular Formula ]:
C5H8O2
[ Molecular Weight ]:
100.11600
[ Flash Point ]:
33.7ºC
[ Exact Mass ]:
100.05200
[ PSA ]:
26.30000
[ LogP ]:
0.56940
[ Vapour Pressure ]:
9.21mmHg at 25°C
[ Index of Refraction ]:
1.427
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RQ7525000
- CHEMICAL NAME :
- 2-Oxetanone, 3,3-dimethyl-
- CAS REGISTRY NUMBER :
- 1955-45-9
- BEILSTEIN REFERENCE NO. :
- 1280648
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C5-H8-O2
- MOLECULAR WEIGHT :
- 100.13
- WISWESSER LINE NOTATION :
- T4OVTJ C1 C1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1470 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 316 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 216 gm/kg/2Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 72 gm/kg/69W
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Serratia marcescens
- DOSE/DURATION :
- 25 mg/L
- REFERENCE :
- ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74. For publisher information, see ARTODN. Volume(issue)/page/year: 30,67,1972
Safety Information
[ HS Code ]:
2932209090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2932209090
[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%