(2R,5R)-2,5-HEXANEDIOL
Names
[ CAS No. ]:
3916-18-5
[ Name ]:
(2R,5R)-2,5-HEXANEDIOL
[Synonym ]:
(2rs,3rs)-2-amino-3-(3,4-dihydroxy-phenyl)-3-hydroxy-propionic acid
Chemical & Physical Properties
[ Density]:
1.608g/cm3
[ Boiling Point ]:
549.8ºC at 760mmHg
[ Melting Point ]:
>200ºC
[ Molecular Formula ]:
C9H11NO5
[ Molecular Weight ]:
213.18700
[ Flash Point ]:
286.3ºC
[ Exact Mass ]:
213.06400
[ PSA ]:
124.01000
[ LogP ]:
0.24340
[ Appearance of Characters ]:
powder | off-white to yellow-tan
[ Index of Refraction ]:
1.692
[ Storage condition ]:
-15°C
[ Water Solubility ]:
ethanol: 50 mg/mL Solutions should be freshly prepared.
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VT9626000
- CHEMICAL NAME :
- Serine, 3-(3,4-dihydroxyphenyl)-, DL-threo-
- CAS REGISTRY NUMBER :
- 3916-18-5
- BEILSTEIN REFERENCE NO. :
- 2852792
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H11-N-O5
- MOLECULAR WEIGHT :
- 213.21
- WISWESSER LINE NOTATION :
- QVYZYQR CQ DQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #81-104815
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #81-104815
Safety Information
[ Safety Phrases ]:
S24/25
[ WGK Germany ]:
2
[ RTECS ]:
VT9626000