Pivalolactone.

Suppliers

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Isobutylene Oxide
  • carbon monoxide
  • Isobutyraldehyde
  • Propanoic acid,3-chloro-2,2-dimethyl-
  • methyl 2-methylprop-2-enyl carbonate

DownStream

  • 2,2-Dimethylbutanoic acid
  • 3-(2-carboxy-2-methyl-propyl)sulfanyl-2,2-dimethyl-propanoic acid
  • Pivalic acid
  • 2,2,4,4-TETRAMETHYLPENTANOICACID
  • 2,2-Dimethylpent-4-enoic acid
  • Propanoic acid,3-bromo-2,2-dimethyl-
  • 2,2-Dimethyl-3-phenylpropanoic acid
  • 2,2-DIMETHYL-5-HEXENOIC ACID

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 5-(2-Nitroethyl)-2-(propan-2-yl)-1,3-thiazole
  • methyl 3-[(1R,5S,6R)-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-ynoate
  • 5-[1-(2-aminoethyl)cyclobutyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
  • 3-Amino-1-(6-methoxy-5-methylpyridin-3-yl)cyclobutane-1-carboxylic acid
  • Methyl 3-hydroxy-3-(thiolan-3-yl)propanoate
  • N-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetamide
  • 3-amino-3-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]propanoic acid
  • Methyl 3-[2-(dimethylamino)-1,3-thiazol-5-yl]-3-hydroxypropanoate
  • 3-Amino-1-(3-ethylphenyl)cyclobutane-1-carboxylic acid
  • 4-Amino-4-(5-methoxypyridin-3-yl)cyclohexan-1-ol
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.