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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12O3
Molecular Weight 228.2433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXYBENZONE

SMILES

COC1=CC(O)=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChIKey=DXGLGDHPHMLXJC-UHFFFAOYSA-N
InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3

HIDE SMILES / InChI

Molecular Formula C14H12O3
Molecular Weight 228.2433
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

Oxybenzone is one of the more popular molecules used by chemists during the manufacturing of cosmetics and is included in sunscreen for UV protection. The chemical is often used to stabilize and strengthen the color and scent of skin care products, but its widest use is in the form of sun block. Unfortunately, the debate about the safety of oxybenzone is still ongoing. One of the biggest concerns in the medical community about the widespread use of the molecule comes from the fact that it’s easily absorbed into the body. This absorption raises concerns that oxybenzone may accumulate in the body, eventually leading to potentially toxic levels of the chemical, which can affect the endocrine system.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
SHADE UVAGUARD

Cmax

ValueDoseCo-administeredAnalytePopulation
94.2 ng/mL
2 mg/cm² single, topical
OXYBENZONE plasma
Homo sapiens
258.1 ng/mL
2 mg/cm² 4 times / day multiple, topical
OXYBENZONE plasma
Homo sapiens
85.4 ng/mL
2 mg/cm² single, topical
OXYBENZONE plasma
Homo sapiens
180.1 ng/mL
2 mg/cm² 4 times / day multiple, topical
OXYBENZONE plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
1204 ng × h/mL
2 mg/cm² single, topical
OXYBENZONE plasma
Homo sapiens
3443.7 ng × h/mL
2 mg/cm² 4 times / day multiple, topical
OXYBENZONE plasma
Homo sapiens
1159.6 ng × h/mL
2 mg/cm² single, topical
OXYBENZONE plasma
Homo sapiens
2757.3 ng × h/mL
2 mg/cm² 4 times / day multiple, topical
OXYBENZONE plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
78.5 h
2 mg/cm² single, topical
OXYBENZONE plasma
Homo sapiens
79.2 h
2 mg/cm² single, topical
OXYBENZONE plasma
Homo sapiens

Doses

AEs

PubMed

Sample Use Guides

In Vivo Use Guide
Apply evenly and liberally to all exposed areas of the skin 30 minutes before any sun exposure.
Route of Administration: Topical
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
95OOS7VE0Y
Record Status Validated (UNII)
Record Version