3-methyl-1,5-pentane diol
1,5-pentanediol, 3-methyl-
Identification
| Name | 3-methyl-1,5-pentane diol |
| IUPAC | 3-methylpentane-1,5-diol |
| CAS Number | 4457-71-0 |
| EINECS | 224-709-1 |
| FDA UNII | 88495M4HNS |
| Molecular Formula | C6 H14 O2 |
| Molecular Weight | 118.17598000 |
| MDL Number | MFCD00039547 |
| Nikkaji Number | J34.907K |
| Beilstein | 1697331 |
| XlogP3 | 0.30 (est) |
Regulatory
| DG SANTE Food Contact Materials | 3-methyl-1,5-pentanediol |
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 228.60 °C. @ 760.00 mm Hg (est) |
| Flash Point | 223.00 °F. TCC ( 106.30 °C. ) (est) |
| logP (o/w) | -0.250 (est) |
| Soluble in | water, 2.617e+004 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intravenous-mouse LD50 320 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01094']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for 3-methyl-1,5-pentane diol usage levels up to | not for fragrance use. |
| Recommendation for 3-methyl-1,5-pentane diol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
1,5-
dihydroxy-3-methylpentane
3-
methyl pentane-1,5-diol
3-
methyl-1,5-pentanediol
3-
methylpentane-1,5-diol
1,5-
pentanediol, 3-methyl-
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