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468-28-0

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Basic Information
CAS No.: 468-28-0
Name: LUPULONE
Molecular Structure:
Molecular Structure of 468-28-0 (LUPULONE)
Formula: C26H38 O4
Molecular Weight: 414.64
Synonyms: 2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)- (9CI);Lupulone (7CI,8CI); Lupulon; Lupulone b-acid; n-Lupulone; b-Lupulic acid
Density: 1.045g/cm3
Melting Point: 93oC
Boiling Point: 583.9oC at 760 mmHg
Flash Point: 321oC
Solubility: 1g/L at 20℃
Hazard Symbols:
Risk Codes: 25
Safety: Poison by ingestion and intramuscular routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 74.60000
LogP: 6.86380
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Chemistry

MF: C26H38O4
MW: 414.58
EINECS: 207-405-3
LUPULONE is often orange powder.

Toxicity Data With Reference

1.   

orl-rat LD50:1800 mg/kg

   FEPRA7    Federation Proceedings, Federation of American Societies for Experimental Biology. 8 (1949),281.
2.   

ims-rat LD50:330 mg/kg

   FEPRA7    Federation Proceedings, Federation of American Societies for Experimental Biology. 8 (1949),281.
3.   

orl-mus LD50:525 mg/kg

   ARZNAD    Arzneimittel-Forschung. Drug Research. 17 (1967),79.
4.   

scu-mus LD50:600 mg/kg

   85GDA2    CRC Handbook of Antibiotic Compounds, Volumes 1-9. 8 (2)(1982),39.
5.   

ims-mus LD50:600 mg/kg

   FEPRA7    Federation Proceedings, Federation of American Societies for Experimental Biology. 8 (1949),281.
6.   

orl-rbt LDLo:1000 mg/kg

   AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 82 (1950),1.
7.   

orl-gpg LD50:130 mg/kg

   

FEPRA7    Federation Proceedings, Federation of American Societies for Experimental Biology. 8 (1949),281.

RTECS  :OK5950000
Poison by ingestion and intramuscular routes. Moderately toxic by subcutaneous route.

Safety Profile

it may cause behavioral - ataxia Lungs, Thorax, or Respiration - cyanosis
When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Codes : T
Risk Statements:  25
Safety Statements  :45