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Substance Name: Dotriacontane
RN: 544-85-4
UNII: 7KSV90RN23
InChIKey: QHMGJGNTMQDRQA-UHFFFAOYSA-N
Molecular Formula
- C32-H66
Molecular Weight
- 450.873
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Dotriacontane
Synonyms
- 4-01-00-00595 (Beilstein Handbook Reference)
- AI3-52367
- Bicetyl
- BRN 1783260
- Dotriacontane
- EINECS 208-881-5
- HSDB 8362
- n-Dotriacontane
- NSC 6361
- UNII-7KSV90RN23
Systematic Name
- Dotriacontane
Registry Numbers
CAS Registry Number
- 544-85-4
FDA UNII
- 7KSV90RN23
System Generated Number
- 0000544854
Structure Descriptors
InChI
1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3InChIKey
QHMGJGNTMQDRQA-UHFFFAOYSA-NSmiles
C(CCCCCCCCCCCCCCCC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00741, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 69.7 | deg C | EXP | |
| Boiling Point | 467 | deg C | EXP | |
| log P (octanol-water) | 16.06 | (none) | EST | |
| Water Solubility | 8.29E-12 | mg/L | 25 | EST |
| Henry's Law Constant | 2700 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 4.22E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.