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Details

Stereochemistry ACHIRAL
Molecular Formula C4H10O
Molecular Weight 74.1216
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL ALCOHOL

SMILES

CC(C)(C)O

InChI

InChIKey=DKGAVHZHDRPRBM-UHFFFAOYSA-N
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

HIDE SMILES / InChI

Molecular Formula C4H10O
Molecular Weight 74.1216
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Tert-Butyl alcohol (TBA), also called tert-butanol, an important intermediate in industrial chemical synthesis, is poorly absorbed through skin, but is rapidly absorbed upon inhalation or ingestion and distributed to tissues throughout the body. There is no much information related to the toxicity and pharmacological properties of tert-butanol in humans and animals. However, the recently published article has shown that TBA-associated non-neoplastic and neoplastic histopathological changes in the rat's kidney could be explained by alpha2u-globulin nephropathy (α2u-gN) or enhanced chronic progressive nephropathy (CPN), neither of which are relevant to humans.

Approval Year

PubMed

Substance Class Chemical
Record UNII
MD83SFE959
Record Status Validated (UNII)
Record Version