590-86-3
Product Name:
Isovaleraldehyde
Formula:
C5H10O
Synonyms:
3-Methylbutanal;3-Methylbutyraldehyde;NSC 404119
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Isovaleraldehyde is a colorless liquid with a weak suffocating odor. Floats on water. Produces an irritating vapor. (USCG, 1999) |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Apple-like odor |
| Taste | AT VERY LOW LEVELS THE FLAVOR IS WARM, HERBACEOUS, SLIGHTLY FRUIT, AND NUT-LIKE |
| Boiling Point | 198.5 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -60 °F (USCG, 1999) |
| Flash Point | 55 °F (est.) (USCG, 1999) |
| Solubility | Slightly soluble in water; soluble in ethanol, ethyl ether |
| Density | 0.785 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 2.96 (Air = 1) |
| Vapor Pressure | 50.0 [mmHg] |
| LogP | 1.31 |
| Autoignition Temperature | 464 °F (240 °C) |
| Decomposition | Disaster hazard: slight; when heated, it emits acrid fumes. |
| Viscosity | 0.58 mPa.S at 20 °C |
| Surface Tension | 23.2 mN/m at 20 °C |
| Refractive Index | Index of refraction: 1.3902 at 20 °C/D |
| Kovats Retention Index | 628 629 634 625 617 617 630 638 629 617 614 639 631 631 632 631 633 627 628 629 629 641 632 633 615 633.83 634.98 636.4 637.46 639.23 635 636 638 639 636.1 649.6 637 640 638 638 643 645 640 645 650 625 640 640 636 622 650 613 665 635 649 635 626 637 635 633 633 639 659 628 624.57 627 637 634 635 627 632 638 627 630 630 649 619 622 628 628 637 622 626 638 649 627 627 627 632 630 628 634 633 632.2 641.9 |
| Other Experimental Properties | Conversion factors: 1 mg/L = 284 ppm; 3.5 mg/cu m = 1 ppm |
| Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H225:Flammable liquids H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 86.13 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 86.073164938 g/mol |
| Monoisotopic Mass | 86.073164938 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 39.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isovaleraldehyde is a colorless liquid with a weak suffocating odor. Floats on water. Produces an irritating vapor. (USCG, 1999)