(S)-gamma-valerolactone
natural substances and extractives
| 2D: |
 |
| 3D: |
|
| CAS Number: |
19041-15-7
|
| FDA UNII: |
Search |
| Category: |
natural substances and extractives |
| IUPAC Name: |
(S)-gamma-valerolactone |
| InChI : |
InChI=1/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m0/s1 |
| Std.InChI: |
InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m0/s1 |
| InChIKey : |
GAEKPEKOJKCEMS-BYPYZUCNBE |
| Std.InChIKey: |
GAEKPEKOJKCEMS-BYPYZUCNSA-N |
| SMILES : |
C[C@H]1CCC(=O)O1 |
| MDL: |
MFCD01863132 |
| Molar Refractivity : |
24.89 ± 0.3 cm3 (est) |
| Parachor : |
224.0 ± 6.0 cm3 (est) |
| Index of Refraction : |
1.430 ± 0.02 (est) |
| Surface Tension : |
29.3 ± 3.0 dyne/cm (est) |
| Density : |
1.040 ± 0.06 g/cm3 (est) |
| Polarizability : |
9.86 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 206.00 to 207.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.235000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 167.00 °F. TCC ( 75.00 °C. ) (est) |
| logP (o/w): | -0.096 (est) |
| Soluble in: |
| | alcohol |
| | water, 9.381e+004 mg/L @ 25 °C (est) |
Safety Information:
| Preferred SDS: View |
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
| Not determined |
| Dermal Toxicity: |
| Not determined |
| Inhalation Toxicity: |
| Not determined |
Safety in Use Information:
| Category: |
| natural substances and extractives |
| Recommendation for (S)-gamma-valerolactone usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for (S)-gamma-valerolactone flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| (S)- | dihydro-5-methyl-2(3H)-furanone |
| (S)-4- | hydroxypentanoic acid gamma-lactone |
| (S)-4- | hydroxyvaleric acid gamma-lactone |
| (S)-4- | hydroxyvaleric acid lactone |
| (S)-(-)-4- | methyl butan-4-olide |
| (S)-5- | methyl tetrahydro-2-furanone |
| (S)-4- | methyl-4-hydroxybutanoic acid lactone |
| (S)-4- | methyl-gamma-butyrolactone |
| (S)-gamma- | methyl-gamma-butyrolactone |
| (S)-(-)-4- | methylbutan-4-olide |
| (S)-4- | methylbutan-4-olide |
| (5S)-5- | methyloxolan-2-one |
| (S)-5- | methyloxolan-2-one |
| (S)-gamma- | pentalactone |
| (S)-4- | pentanolide |
| (S)- | pentanolide-1,4 |
| (S)-(-)-gamma- | valerolactone |
| (S)-4- | valerolactone |
| (S)-gamma- | valeryl lactone |
