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Home> Encyclopedia >   /  Organic Intermediate
UKRORGSYN-BB structure
UKRORGSYN-BB structure

UKRORGSYN-BB

Iupac Name:1-cyclopropyl-2-phenylmethoxyethanol
CAS No.: 188896-08-4
Molecular Weight:192.25
Modify Date.: 2021-11-29 12:45
1. Names and Identifiers
1.1 Name
UKRORGSYN-BB
1.2 Synonyms

2-(benzyloxy)-1-cyclopropylethanol Cyclopropanemethanol, α-[(phenylmethoxy)methyl]-

1.3 CAS No.
188896-08-4
1.4 CID
15218655
1.5 Molecular Formula
C12H16O2 (isomer)
1.6 Inchi
InChI=1S/C12H16O2/c13-12(11-6-7-11)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
1.7 InChkey
BIRUNEPGFYYCNW-UHFFFAOYSA-N
1.8 Canonical Smiles
C1CC1C(COCC2=CC=CC=C2)O
1.9 Isomers Smiles
C1CC1C(COCC2=CC=CC=C2)O
2. Properties
3.1 Density
1.131±0.06 g/cm3(Predicted)
3.1 Boiling point
310.2±17.0 °C(Predicted)
3.1 Precise Quality
192.11500
3.1 PSA
29.46000
3.1 logP
1.97410
3.1 pKa
14.33±0.20(Predicted)
3.2 StorageTemp
Sealed in dry,2-8°C
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Precursor and Product
6. Computational chemical data
  • Molecular Weight: 192.25g/mol
  • Molecular Formula: C12H16O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 1.7
  • Exact Mass: 192.115029749
  • Monoisotopic Mass: 192.115029749
  • Complexity: 160
  • Rotatable Bond Count: 5
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 29.5
  • Heavy Atom Count: 14
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
7. Recommended Suppliers
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2-(Benzyloxy)-1-cyclopropylethanol
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/07/29
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2-(Benzyloxy)-1-cyclopropylethanol
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/25
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