Ethyl (S)-2-hydroxy-4-phenylbutyrate - CAS 125639-64-7
Catalog: |
BB050234 |
Product Name: |
Ethyl (S)-2-hydroxy-4-phenylbutyrate |
CAS: |
125639-64-7 |
Synonyms: |
(S)-Ethyl 2-hydroxy-4-phenylbutanoate; (S)-2-Hydroxy-4-phenylbutyric Acid Ethyl Ester |
IUPAC Name: | ethyl (2S)-2-hydroxy-4-phenylbutanoate |
Description: | Ethyl (S)-2-hydroxy-4-phenylbutyrate (CAS# 125639-64-7 ) is a useful research chemical. |
Molecular Weight: | 208.25 |
Molecular Formula: | C12H16O3 |
Canonical SMILES: | CCOC(=O)C(CCC1=CC=CC=C1)O |
InChI: | InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/t11-/m0/s1 |
InChI Key: | ZJYKSSGYDPNKQS-NSHDSACASA-N |
Boiling Point: | 330.936 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.075 g/mL at 20 °C (lit.) |
Appearance: | Slightly yellowish oil |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.109944368 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
-
Catalog: BB001956
(1-Aminocyclopropyl)methanol
Detail
-
Catalog: BB054256
((2S,4R)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol
Detail
-
Catalog: BB078849
((2S,4S)-1-benzyl-4-((tert-butyldimethylsilyl)oxy)pyrrolidin-2-yl)methanol
Detail
-
Catalog: BB020676
(±)-1,2,4-Butanetriol
Detail
-
Catalog: BB078864
((2R,5R)-5-methylpiperazin-2-yl)methanol dihydrochloride
Detail
-
Catalog: BB027118
(±)-trans-1,2-Cyclopentanediol
Detail
-
Catalog: BB026447
(±)-3-Benzyloxy-1,2-propanediol
Detail
-
Catalog: BB080017
(1-Benzylpyrrolidine-2,5-diyl)dimethanol
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Alcohols and Derivatives
Arenes
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS