Caffeine Properties

Properties of Caffeine - CAS# 58-08-02

JMShamberg

[Full Marks JCB]

1) Boiling Point
--predicted at 416.8 °C at 760 mmHg ChemSpider
--sublimes MSDS
--sublimes 90 °C CRC Handbook (CRC-Caffeine.jpg)
--sublime s 178 °C Alfa Aesar
--sublimes 160-165 °C - (The Merk_Index.jpg) - Knovel


2) Density
--1.45 g/cm^3 - perdicted ChemSpider
--1.23 g/cm^3 CRC Handbook (CRC-Caffeine.jpg)
--1.23 g/cm^3 (The Merk_Index.jpg) - Knovel
--
1.45 g/cm^3 LookChem
--
1.230 g/cm^3 Alfa Aesar


3) Melting Point
--237 °C MSDS
--238 °C (The Merk_Index.jpg) - Knovel
--
234-239 ºC LookChem
--
234-236 °C Alfa Aesar
--236.3 °C CRC Handbook (CRC-Caffeine.jpg)


4) Water Solubility
-- 0.022 g/mL in water (The Merk_Index.jpg) - Knovel - [originally 1 gram 46 mL]
--
0.020 g/mL (20 ºC) in water LookChem
- [originally 20 g/L]
-- Slightly Soluble in water Sigma MSDS - Segment.pdf
-- Slightly Soluble in water CRC Handbook (CRC-Caffeine.jpg)
-- Moderately Soluble in water MSDS


5) Toxicity
--
LD50-ORL-RAT 192 mg kg-1 (MSDS)
--
LD50-ORL-RAT 192 mg kg-1 Sigma MSDS - Segment.pdf
--
LD50-ORL-RAT 355 mg kg-1(males); 247 mg kg-1(females) (The Merk_Index.jpg) - Knovel
--
LD50-ORL-RAT 192 mg kg-1 Wolframalpha
--
LD50-ORL-RAT 192 mg kg-1 chemicalland21