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Butoxypropanol
CAS:
63716-40-5
MW:
132.20074
MF:
C7H16O2
 
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Names and ldentifier
Use and Manufacturing
Safety and Handling
Other Information
Computational chemical data
1. Names and Identifiers
1.1 Name
Butoxypropanol
1.2 Synonyms
3-butoxy propan-1-ol; 3-Butoxy-1-propanol; 3-butoxypropan-1-ol; ACN-053361; AKOS005292554; BCP22340; BRN 1734195; CTK0H8292; Dowanol 37B; DTXSID4075453; n-Butoxy-1-propanol; N-Butoxypropanol (mixed isomer); NSC 221254; NSC221254; Propanediol butyl ethe; Propanol, butoxy- (mixed isomers); Propylene glycol mono-n-butyl ether; Q-200365; WLN: Q3O4; ZINC1755956;
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1.3 CAS No.
63716-40-5
1.4 CID
82457
1.5 Molecular Formula
C7H16O2
1.6 Inchi
InChI=1S/C7H16O2/c1-2-3-6-9-7-4-5-8/h8H,2-7H2,1H3
1.7 InChkey
NTKBNCABAMQDIG-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCOCCCO
1.9 Isomers Smiles
CCCCOCCCO
2. Use and Manufacturing
2.1 Description
Colorless liquid. Soluble in water. Combustible.
3. Safety and Handling
3.1 Toxicity
Oral-rat LD50: 2830 μl/kg
4. Computed Properties
Molecular Weight:
132.20074g/mol
Molecular Formula:
C
7
H
16
O
2
Compound Is Canonicalized:
True
Exact Mass:
1
XLogP3-AA:
132.115029749
Monoisotopic Mass:
132.115029749
Complexity:
46.2
Rotatable Bond Count:
6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
29.5
Heavy Atom Count::
9
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:
AAADceBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAABgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAACQAAFAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5.Other Information
Storage features
The warehouse is ventilated, low temperature and dry; it is not easy to store for a long time to prevent the formation of peroxide
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Use and Manufacturing
2.1 Description
3.
Safety and Handling
3.1 Toxicity
4.
Computational chemical data
5.
Other Information
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