1955-45-9

1955-45-9 structure
1955-45-9 structure
  • Name: Pivalolactone.
  • Chemical Name: Pivalolactone.
  • CAS Number: 1955-45-9
  • Molecular Formula: C5H8O2
  • Molecular Weight: 100.11600
  • Create Date: 2017-08-25 11:37:29
  • Modify Date: 2024-01-02 20:49:29

Name Pivalolactone.
Synonyms 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
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

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
HS Code 2932209090

~7%

1955-45-9 structure

1955-45-9

Literature: Mahadevan, Viswanath; Getzler, Yutan D. Y. L.; Coates, Geoffrey W. Angewandte Chemie - International Edition, 2002 , vol. 41, # 15 p. 2781 - 2784

~58%

1955-45-9 structure

1955-45-9

Literature: Eastman Kodak Company Patent: US4017537 A1, 1977 ;

~%

1955-45-9 structure

1955-45-9

Literature: Teijin Ltd. Patent: US3950361 A1, 1976 ;

~14%

1955-45-9 structure

1955-45-9

Literature: Woo, Edmund P.; Cheng, Frank C.W. Journal of Organic Chemistry, 1986 , vol. 51, # 19 p. 3704 - 3706
HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%