Neosolaniol

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Names

[ CAS No. ]:
36519-25-2

[ Name ]:
Neosolaniol

[Synonym ]:
Trichothec-9-ene, 12,13-epoxy-4-β,15-diacetoxy-3-α,8-α-dihydroxy-
4-β,15-Diacetoxy-3-α,8-α-dihydroxy-12,13-epoxytrichothec-9-ene
Trichothec-9-ene-3-α,4-β,8-α,15-tetrol, 12,13-epoxy-, 4,15-diacetate
(3α,4β,8α)-3,8-Dihydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate
Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3α,4β,8α)-
Solaniol (van)
8-HYDROXYDIACETOXYSCIRPENOL
neosolaniol solution
Neosalaniol
NEOSOLANIOL

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
515.9±50.0 °C at 760 mmHg

[ Melting Point ]:
171.5°C

[ Molecular Formula ]:
C19H26O8

[ Molecular Weight ]:
382.405

[ Flash Point ]:
180.2±23.6 °C

[ Exact Mass ]:
382.162781

[ PSA ]:
114.82000

[ LogP ]:
-0.07

[ Vapour Pressure ]:
0.0±3.0 mmHg at 25°C

[ Index of Refraction ]:
1.578

[ Storage condition ]:
2-8°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YD0080000
CHEMICAL NAME :
Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate
CAS REGISTRY NUMBER :
36519-25-2
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C19-H26-O8
MOLECULAR WEIGHT :
382.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,S124,1984 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
14500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JJEMAG Japanese Journal of Experimental Medicine. (Kinokuniya Book-Stores of America Co., Ltd., West Bldg., Japan Cultural and Trade Center, 1581 Webster St., San Francisco, CA 94115) V.7- 1928- Volume(issue)/page/year: 42,187,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9700 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOXIA6 Toxicon. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.1- 1962- Volume(issue)/page/year: 24,985,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
24870 ug/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Behavioral - muscle weakness Behavioral - food intake (animal)
REFERENCE :
AEMIDF Applied and Environmental Microbiology. (American Soc. for Microbiology, 1913 I St., NW, Washington, DC 20006) V.31- 1976- Volume(issue)/page/year: 35,636,1978

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300 + H310 + H330

[ Precautionary Statements ]:
P260-P264-P280-P284-P301 + P310-P302 + P350

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T+,Xn,F

[ Risk Phrases ]:
26/27/28-36-20/21/22-11

[ Safety Phrases ]:
22-36/37/39-45-36/37-16-26

[ RIDADR ]:
UN 2811 6.1/PG 1

[ WGK Germany ]:
3

[ RTECS ]:
YD0080000

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1(a)

Synthetic Route

Precursor & DownStream

Precursor

  • 4,15-Bis(acetyloxy)-12,13-epoxy-3-hydroxytrichothec-9-en-8-one (3alpha,4beta)-
  • 4β,15-diacetoxy-8α-bromoscirpen-3α-ol
  • Diacetoxyscirpenol
  • Neosolaniol

DownStream

  • Neosolaniol
  • T-2 TETRAOL TETRAACETATE
  • neosolaniol
  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate, (3a lpha,4beta,8alpha)-
  • 3α,8β-bis-O-(2-tetrahydropyranyl)scirpene-4β,15-diol
  • 15-acetoxy-4β-(methacryloyloxy)scirpene-3α,8β-diol
  • 4β,15-bis(methacryloyloxy)scirpene-3α,8β-diol
  • Trichothec-9-ene-3,8-dione,15-(acetyloxy)-12,13-epoxy-4-[(2-methyl-1-oxo-2-propenyl)oxy]-, (4b)- (9CI)
  • 4β,15-bis(methacryloyloxy)scirpene-3,8-dione

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Related Compounds

  • neosolaniol
  • epi-neosolaniol