Basic information
- CAS
20989-17-7- Standard SMILES
N[C@H](CO)c1ccccc1- InChIKey
IJXJGQCXFSSHNL-MRVPVSSYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 2-Amino-2-phenylethan-1-ol
- IUPAC
- (2S)-2-amino-2-phenylethanol
- English name
- (S)-(+)-2-Phenylglycinol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
(S)-(+)-2-Phenylglycinol(+)-phenylglycinolDTXSID909432952-Amino-2-Phenylethan-1-OlRefChem:463539DTXCID001371666606-683-7640-704-020989-17-7L-Phenylglycinol(S)-2-Phenylglycinol(S)-2-Amino-2-phenylethanol
Show more names
2-phenylglycinolL-2-PHENYLGLYCINOLL-Phg-OLD-2-PHENYLGLYCINOL(2S)-Phenylglycinol
(2s)-2-amino-2-phenylethanol(s)-phenylglycinol(2S)-2-Amino-2-Phenylethan-1-OlMFCD00064404(S)-2-amino-2-phenylethan-1-ol(s)-(+)-phenylglycinol(2S)-2-amino-2-phenyl-ethanol(S)-(+)-2-Amino-2-phenylethanol
Database identifiers
- CAS
20989-17-7、7568-92-5- PubChem CID
- 134797
- DTXSID
DTXSID90943295- EC Number
- 606-683-7、640-704-0
- Nikkaji
- J35.851G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89.3
Physicochemical properties
- Melting point
- 76 · 76-79 °C
- alpha
- -25.5 · -25.5 º (c=6, MeOH)
- Boiling point
- 252.03 °C · 252.03°C (rough estimate)
- Density
- 1.063 · 1.0630 (rough estimate)
- refractive index
- 30 ° · 30 ° (C=1, EtOH)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Crystalline Powder
- pka
- 12.51 · 12.51±0.10(Predicted)
- color
- White to pale yellow
- optical activity
- 19 · [α]19/D +33°, c = 0.75 in 1 M HCl
- Water Solubility
- Soluble in chloroform, dimethylsulfoxide and methanol. Limited solubility in water.
- Sensitive
- Air Sensitive
- BRN
- 3196190 · 3196190
- Major Application
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]
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 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (91.7%)
Acute Tox. 4 (25%)
Safety data
- F
- 2-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29052900
- risk_code
- 34-36/37/38-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,T
- safety_code
- 22-24/25-45-36/37/39-26-37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses(S)-(+)-2-Phenylglycinol is used in the synthesis of chiral, unsymmetrical bisoxazolines. It is used as a reagent for the resolution of acids via the easily hydrolyzed amides.
Uses(S)-(+)-2-Phenylglycinol is a chiral arylalkylamine used as organocatalysts. Used in the synthesis and chiral recognition properties of novel fluorescent chemosensors for amino acid.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
Related reactions
81 records
Compound notes
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