S-3-methyl-3-buten-2-ol
natural substances and extractives
| 2D: |
 |
| 3D: |
|
| CAS Number: |
88376-46-9
|
| FDA UNII: |
77Y2858010 |
| Category: |
natural substances and extractives |
| IUPAC Name: |
S-3-methyl-3-buten-2-ol |
| InChI : |
InChI=1/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3/t5-/m0/s1 |
| Std.InChI: |
InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3/t5-/m0/s1 |
| InChIKey : |
JEYLKNVLTAPJAF-YFKPBYRVBW |
| Std.InChIKey: |
JEYLKNVLTAPJAF-YFKPBYRVSA-N |
| SMILES : |
CC(C(=C)C)O |
| Molar Refractivity : |
26.27 ± 0.3 cm3 (est) |
| Parachor : |
230.3 ± 4.0 cm3 (est) |
| Index of Refraction : |
1.419 ± 0.02
(est) |
| Surface Tension : |
24.2 ± 3.0 dyne/cm (est) |
| Density : |
0.829 ± 0.06 g/cm3 (est) |
| Polarizability : |
10.41 ± 0.5 10-24cm3 (est) |
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: |
| | water, 4.053e+004 mg/L @ 25 °C (est) |
Safety Information:
| |
| 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-3-methyl-3-buten-2-ol usage levels up to: |
| | not for fragrance use. |
| |
| Recommendation for S-3-methyl-3-buten-2-ol flavor usage levels up to: |
| | not for flavor use. |
Potential Blenders and core components :
Occurrence (nature, food, other):
Synonyms:
| 3- | buten-2-ol, 3-methyl-, (2S)- |
| S-3- | hydroxy-2-methyl-1-butene |
| (2S)-3- | methyl-3-buten-2-ol |
| (2S)-3- | methylbut-3-en-2-ol |
