CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; Darkens and polymerizes upon exposure to light and air; [Merck Index] |
|---|---|
| Color/Form | COLORLESS LIQUID |
| Odor | MOUSY ODOR |
| Boiling Point | 133 °C |
| Melting Point | SOLIDIFIES AROUND -2 °C |
| Solubility | SOLUBLE IN ALCOHOL, ETHER, ACETONE, BENZENE, AMYL ALCOHOL; SLIGHTLY SOL IN CHLOROFORM; ONE ML DISSOLVES IN 90 ML WATER, LESS SOL IN HOT WATER; THE BASE DISSOLVES ABOUT 25% WATER AT ROOM TEMPERATURE |
| Density | 0.844-0.848 @ 20 °C/4 °C |
| Vapor Pressure | 0.69 [mmHg] |
| pH | ALKALINE |
| Refractive Index | INDEX OF REFRACTION: 1.4505 @ 23 °C/D; SPECIFIC OPTICAL ROTATION: +16 DEG @ 19 °C/D |
| Dissociation Constants | PK 3.1; K 7.5X10-4 |
| Kovats Retention Index | 992 |
| Other Experimental Properties | VOLATILE WITH STEAM |
| Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H301:Acute toxicity,oral H311:Acute toxicity,dermal H331:Acute toxicity,inhalation H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P281:Use personal protective equipment as required. P311:Call a POISON CENTER or doctor/physician. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P321:Specific treatment (see … on this label). P322:Specific measures (see …on this label). P330:Rinse mouth. P361:Remove/Take off immediately all contaminated clothing. P363:Wash contaminated clothing before reuse. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P302+P352:IF ON SKIN: wash with plenty of soap and water. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P308+P313:IF exposed or concerned: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 127.23 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 127.136099547 g/mol |
| Monoisotopic Mass | 127.136099547 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 71 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Coniine is a natural product found in Conium, Sarracenia flava, and other organisms with data available.