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(S)-1-Phenyl-2-propanol - >96.0%(GC), high purity , CAS No.1517-68-6

COA

Grade & Purity:

≥96%(GC)

Cas Number: 1517-68-6
Molecular Weight: 136.19
Beilstein Registry Number: 2553540
PubChem CID: 6994174

In stock

Item Number

S161359

Grouped product items
SKU	Size	Availability	Price	Qty
S161359-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90
S161359-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,287.90

Basic Description

Synonyms	(S)-1-Phenylpropan-2-ol \| 1517-68-6 \| (S)-1-Phenyl-2-propanol \| (2S)-1-phenylpropan-2-ol \| (S)-(+)-1-Phenyl-2-propanol \| (+)-1-Phenyl-2-propanol \| 1-Phenyl-2-propanol, (+)- \| (S)-(+)-Benzylmethylcarbinol \| (+)-(S)-1-Phenyl-2-propanol \| 5EAH5F9HYI \| UNII-5EAH5F9HYI \| (+)-alpha-
Specifications & Purity	≥96%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Secondary alcohols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2S)-1-phenylpropan-2-ol
INCHI	InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
InChIKey	WYTRYIUQUDTGSX-QMMMGPOBSA-N
Smiles	CC(CC1=CC=CC=C1)O
Isomeric SMILES	C[C@@H](CC1=CC=CC=C1)O
WGK Germany	3
PubChem CID	6994174
Molecular Weight	136.19
Beilstein	2553540
Reaxy-Rn	2553541

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	185 °F
Flash Point(°C)	85°C(lit.)
Boil Point(°C)	104°C/15mmHg(lit.)
Molecular Weight	136.190 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	136.089 Da
Monoisotopic Mass	136.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	84.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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