CAS
93804-57-0 Purity
96%
93804-57-0 Purity
96%
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4-Isobutyl-2-isopropylphenol
CAS
93804-61-6
Catalog Number
ACM93804616
Category
Other Products
Molecular Weight
192.297300 [g/mol]
Molecular Formula
C13H20O
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Specification
Synonyms
4-Isobutyl-2-isopropylphenol, EINECS 298-438-2, CID3022448, 93804-61-6
IUPAC Name
4-(2-methylpropyl)-2-propan-2-ylphenol
Canonical SMILES
CC(C)CC1=CC(=C(C=C1)O)C(C)C
InChI Key
BPNNRHSEXOXXJY-UHFFFAOYSA-N
Boiling Point
277.1ºC at 760 mmHg
Flash Point
127.3ºC
Density
0.941g/cm³
EC Number
298-438-2
Exact Mass
192.15100
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 4-Isobutyl-2-isopropylphenol?
The molecular formula of 4-Isobutyl-2-isopropylphenol is C13H20O.
When was 4-Isobutyl-2-isopropylphenol created in PubChem?
4-Isobutyl-2-isopropylphenol was created in PubChem on August 8, 2005.
What is the IUPAC name of 4-Isobutyl-2-isopropylphenol?
The IUPAC name of 4-Isobutyl-2-isopropylphenol is 4-(2-methylpropyl)-2-propan-2-ylphenol.
What is the InChIKey of 4-Isobutyl-2-isopropylphenol?
The InChIKey of 4-Isobutyl-2-isopropylphenol is BPNNRHSEXOXXJY-UHFFFAOYSA-N.
What is the Canonical SMILES of 4-Isobutyl-2-isopropylphenol?
The Canonical SMILES of 4-Isobutyl-2-isopropylphenol is CC(C)CC1=CC(=C(C=C1)O)C(C)C.
What is the molecular weight of 4-Isobutyl-2-isopropylphenol?
The molecular weight of 4-Isobutyl-2-isopropylphenol is 192.30 g/mol.
What is the XLogP3-AA value of 4-Isobutyl-2-isopropylphenol?
The XLogP3-AA value of 4-Isobutyl-2-isopropylphenol is 4.3.
How many hydrogen bond donor counts does 4-Isobutyl-2-isopropylphenol have?
4-Isobutyl-2-isopropylphenol has 1 hydrogen bond donor count.
How many rotatable bond counts does 4-Isobutyl-2-isopropylphenol have?
4-Isobutyl-2-isopropylphenol has 3 rotatable bond counts.
Is 4-Isobutyl-2-isopropylphenol a canonicalized compound in PubChem?
Yes, 4-Isobutyl-2-isopropylphenol is a canonicalized compound in PubChem.
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