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Substance Name: Azulene, 1,4-dimethyl-7-(1-methylethyl)-
RN: 489-84-9
UNII: 2OZ1K9JKQC
InChIKey: FWKQNCXZGNBPFD-UHFFFAOYSA-N
Molecular Formula
- C15-H18
Molecular Weight
- 198.307
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 1,4-Dimethyl-7-(1-methylethyl)azulene
- Azulene, 1,4-dimethyl-7-(1-methylethyl)-
- Guaiazulene
Synonyms
- 1,4-Dimethyl-7-isopropylazulene
- 3,8-Dimethyl-5-(2-propyl)azulene
- 4-05-00-01751 (Beilstein Handbook Reference)
- 7-Isopropyl-1,4-dimethylazulene
- Azulen-beris
- Azulene, 1,4-dimethyl-7-(1-methylethyl)-
- Azulene, 1,4-dimethyl-7-isopropyl-
- Azulon
- Azunol
- BRN 1365001
- Cuteazul
- EINECS 207-701-2
- Eucazulen
- Guaiazulene
- Guajazulene
- Guiazulene
- Gurjunazulen
- Kessazulen
- NSC 4714
- Purazulen
- S-Guaiazulene
- Silazulon
- UNII-2OZ1K9JKQC
- Uroazulen
- Vetivazulen
Systematic Names
- 7-Isopropyl-1,4-dimethylazulene
- Azulene, 1,4-dimethyl-7-(1-methylethyl)-
- Azulene, 1,4-dimethyl-7-isopropyl-
- Azulene, 7-isopropyl-1,4-dimethyl- (8CI)
Registry Numbers
CAS Registry Number
- 489-84-9
FDA UNII
- 2OZ1K9JKQC
Other Registry Number
- 12040-47-0
System Generated Number
- 0000489849
Structure Descriptors
InChI
InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3InChIKey
FWKQNCXZGNBPFD-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 525mg/kg (525mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 362, 1958. |
mouse | LD50 | oral | 1220mg/kg (1220mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 362, 1958. |
rat | LD50 | oral | 1550mg/kg (1550mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 615, 1969. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 31.5 | deg C | EXP | |
log P (octanol-water) | 5.930 | (none) | EST | |
Atmospheric OH Rate Constant | 3.43E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.