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

Modify Date: 2025-08-23 18:07:35

Pentitol,1,2:4,5-dianhydro-3-deoxy- (9CI) Structure
Pentitol,1,2:4,5-dianhydro-3-deoxy- (9CI) structure
 Common Name Pentitol,1,2:4,5-dianhydro-3-deoxy- (9CI)
CAS Number 4051-27-8 Molecular Weight 100.11600
Density 1.218g/cm3 Boiling Point 181ºC at 760mmHg
Molecular Formula C5H8O2 Melting Point N/A
MSDS N/A Flash Point 60.9ºC

 Names

Name 2-(oxiran-2-ylmethyl)oxirane
Synonym More Synonyms

 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

1,4-Pentadiene structure

1,4-Pentadiene

CAS#:591-93-5

~99%

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

Pentitol,1,2:4,...

CAS#:4051-27-8

Literature: Baylon, Christophe; Heck, Marie-Pierre; Mioskowski, Charles Journal of Organic Chemistry, 1999 , vol. 64, # 9 p. 3354 - 3360
2-prop-1-enyloxirane structure

2-prop-1-enyloxirane

CAS#:6790-38-1

~94%

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

Pentitol,1,2:4,...

CAS#:4051-27-8

Literature: Nozhnin; Mel'nik; Yegorova; Kryukov Petroleum Chemistry, 1997 , vol. 37, # 2 p. 156 - 160
glutaryl dichloride structure

glutaryl dichloride

CAS#:2873-74-7

~%

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

Pentitol,1,2:4,...

CAS#:4051-27-8

Literature: Schreiber, Stuart L.; Goulet, Mark T.; Schulte, Gayle Journal of the American Chemical Society, 1987 , vol. 109, # 15 p. 4718 - 4720
2,4-dibromopentanedioyl dichloride structure

2,4-dibromopent...

CAS#:29548-85-4

~%

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

Pentitol,1,2:4,...

CAS#:4051-27-8

Literature: Schreiber, Stuart L.; Goulet, Mark T.; Schulte, Gayle Journal of the American Chemical Society, 1987 , vol. 109, # 15 p. 4718 - 4720
1,4-Pentadiene structure

1,4-Pentadiene

CAS#:591-93-5

~0%

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

Pentitol,1,2:4,...

CAS#:4051-27-8

2-prop-1-enyloxirane structure

2-prop-1-enyloxirane

CAS#:6790-38-1

Literature: Nozhnin; Mel'nik; Yegorova; Kryukov Petroleum Chemistry, 1997 , vol. 37, # 2 p. 156 - 160

 Synonyms

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
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Chemsrc provides CAS#:4051-27-8 MSDS, density, melting point, boiling point, structure, etc. Its name is Pentitol,1,2:4,5-dianhydro-3-deoxy- (9CI)>> amp version: Pentitol,1,2:4,5-dianhydro-3-deoxy- (9CI)

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