(±)-3-Benzyloxy-1,2-propanediol - CAS 4799-67-1
Catalog: |
BB026447 |
Product Name: |
(±)-3-Benzyloxy-1,2-propanediol |
CAS: |
4799-67-1 |
Synonyms: |
3-phenylmethoxypropane-1,2-diol |
IUPAC Name: | 3-phenylmethoxypropane-1,2-diol |
Description: | (±)-3-Benzyloxy-1,2-propanediol (CAS# 4799-67-1) is used in the synthesis of 2,3-di-O-phytanyl-sn-glycerol-1-tetraethylene glycol-(3-trichloropropyl-silane) ether lipid (DPTTC) and 2,3-di-O-phytanyl-sn-glycerol-1-tetraethylene glycol-(3-chloro-dimethylpropyl-silane) ether lipid(DPTDC). |
Molecular Weight: | 182.22 |
Molecular Formula: | C10H14O3 |
Canonical SMILES: | C1=CC=C(C=C1)COCC(CO)O |
InChI: | InChI=1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2 |
InChI Key: | LWCIBYRXSHRIAP-UHFFFAOYSA-N |
Boiling Point: | 355.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.140 g/cm3 |
Appearance: | White semi solid |
Storage: | Refrigerator |
LogP: | 0.55640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22052437 | 20120801 | Bioresolution of benzyl glycidyl ether using whole cells of Bacillus alcalophilus | Journal of basic microbiology |
20549284 | 20110401 | Marine fungi Aspergillus sydowii and Trichoderma sp. catalyze the hydrolysis of benzyl glycidyl ether | Marine biotechnology (New York, N.Y.) |
18182301 | 20090101 | Identification of aquaporin 4 inhibitors using in vitro and in silico methods | Bioorganic & medicinal chemistry |
18335096 | 20080301 | In utero and lactational exposures to low doses of polybrominated diphenyl ether-47 alter the reproductive system and thyroid gland of female rat offspring | Environmental health perspectives |
17580686 | 20070301 | [Study on enantioselectivity of celluloses derived by phenylcarbamate at 2,3- or 2,3,6-positions] | Se pu = Chinese journal of chromatography |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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