Pentitol,1,2:4,5-dianhydro-3-deoxy- (9CI)

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Names

[ CAS No. ]:
4051-27-8

[ Name ]:
Pentitol,1,2:4,5-dianhydro-3-deoxy- (9CI)

[Synonym ]:
2,2'-Methylenebisoxirane
2-(oxiranylmethyl)-oxirane
1,4,5-Diepoxypentane
Oxirane,2'-methylenebis
1,2,4,5-Diepoxy-pentan
1,2,4,5-diepoxy-pentane
Pentane,1,2:4,5-diepoxy
1,4-pentadienediepoxide
1:4-Pentadiene dioxide
1,2:4,5-dianhydro-3-deoxypentitol

Chemical & Physical Properties

[ Density]:
1.218g/cm3

[ Boiling Point ]:
181ºC at 760mmHg

[ Molecular Formula ]:
C5H8O2

[ Molecular Weight ]:
100.11600

[ Flash Point ]:
60.9ºC

[ Exact Mass ]:
100.05200

[ PSA ]:
25.06000

[ LogP ]:
0.17410

[ Vapour Pressure ]:
1.18mmHg at 25°C

[ Index of Refraction ]:
1.504

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA0370000
CAS REGISTRY NUMBER :
4051-27-8
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C5-H8-O2
MOLECULAR WEIGHT :
100.13
WISWESSER LINE NOTATION :
T3OTJ B1- BT3OTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
70 gm/kg/58W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
76 gm/kg/63W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
250 mg/kg
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 6,235,1951

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,4-Pentadiene
  • 2-prop-1-enyloxirane
  • glutaryl dichloride
  • 2,4-dibromopentanedioyl dichloride

DownStream

  • 4-HYDROXYTETRAHYDROFURAN-2-METHANOL

Related Compounds

  • Inositol,1,2:4,5-dianhydro-3-deoxy- (9CI)
  • CIS-9:10,12:13-DIEPOXYSTEARIC ACIDMETHYL ESTER
  • N,N-dibutyl-8-[3-[(3-pentylthiiran-2-yl)methyl]thiiran-2-yl]octanamide
  • hexyl 3-[(3-pentyloxiranyl)methyl]oxiran-2-octanoate
  • D-Glucitol,1,2:4,5-dianhydro- (9CI)
  • (1α,2α,3β,4α,5α)-1,2:4,5-dianhydro-1,2,3,4,5-cyclohexane-pentol
  • 6-Phenyl-5-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]diazinan-3-one
  • 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-6-cyclopropyl-5-fluoro-5H-pyrimidin-4-one
  • 2-[4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-fluoro-6-propan-2-yl-5H-pyrimidin-4-one
  • N-benzyl-4-(5-fluoro-4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)piperazine-1-carboxamide
  • 5-[4-[(3-Methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-6-phenyldiazinan-3-one
  • 6-(Difluoromethyl)-2-[4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-diazinan-4-one
  • 2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl-(2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
  • N-[2-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-indole-4-carboxamide
  • 3-[2-[4-(5-Fluoro-4-methyl-6-oxo-1,3-diazinan-2-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
  • 4-[4-[[6-(3,5-Dimethylpyrazol-1-yl)pyrimidin-4-yl]oxymethyl]piperidine-1-carbonyl]piperidin-2-one
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