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Carbamic acid,[(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI) structure
Carbamic acid,[(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI) structure

Carbamic acid,[(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI)

Iupac Name:2,6-ditert-butyl-4-methylphenol
CAS No.:128-37-0
Molecular Weight:220.35
1. Names and Identifiers
1.1 Name
Carbamic acid,[(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI)
1.2 Synonyms

(9H-Fluoren-9-yl)methyl ((2R,3S)-1,3-dihydroxybutan-2-yl)carbamate (9H-Fluoren-9-yl)methyl [(2R,3S)-1,3-dihydroxybutan-2-yl]carbamate 252049-03-9 6916AH AKOS015909104 Carbamic acid, [(1R,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI) Carbamic acid,[(1S,2S)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester (9CI) CTK4F5204 DTXSID00426524 Fmoc-allo-L-Thr-ol FMOC-ALLO-THR-OL FMOC-L-ALLO-THREONINOL J-015867 N-(9-FLUORENYLMETHOXYCARBONYL)-L-ALLO-THREONINOL ZINC2244301

1.3 CAS No.
128-37-0
1.4 CID
31404
1.5 Molecular Formula
C8H12N2 (isomer)
1.6 Inchi
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
1.7 InChkey
NLZUEZXRPGMBCV-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
1.9 Isomers Smiles
CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
2. 3D Conformer
3. Properties
3.1 Density
0.9020
3.2 Melting Point
69-73 °C(lit.)
3.3 Vapour
<0.01 mm Hg ( 20 °C)
3.4 Refractive Index
1.4859
3.5 StorageTemp
-15°C
4. Safety and Handling
4.1 Risk Statements
22-36/37/38-36/38-50/53
4.2 Safety Statements
26-36-37/39-61-60
4.3 HazardClass
9
4.3 PackingGroup
III
4.4 Transport
3077
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:220.35g/mol
  • Molecular Formula:C8H12N2
  • Compound Is Canonicalized:True
  • Exact Mass:220.183
  • Monoisotopic Mass:220.183
  • Complexity:207
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADgSAmAAyBoAAAgCA AiBCAAACAAAgIAAAiAAECIgIJiKCERKAcAAkwBEImAeAwOAPoAACAAAIAABAAAQAABAAAAAAAAAA AA==
8. Question & Answer
  • Butylated hydroxytoluene(BHT) is white or light yellow crystal. BHT has a melting point of 71°C, a boiling point of 265°C, a relative density of 1.048 (20/4°C), and a refractive index of 1.4859 (75°C). Solubility of BHT at normal temperature: methanol 25, ethanol 25-26, isopropanol ...
  • Chemical Properties Butylated hydroxytoluene are also be named as 2, 6-di-tert-butyl-4-methylphenol, 2, 6-di-tert-butyl-p-cresol, Antioxidant 264, 2, 6-di-tert-butyl-p-methylphenol, BHT, DBPC, dibutylhydroxytoluene. The Molecular Weight of BHT is 220.35. As a white solid with faint characteristic o...
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