Octabenzone  Structure

Octabenzone

Chemical Properties

Melting point 47-49 °C(lit.)
Boiling point 424.46°C (rough estimate)
Density  1.160g/cm3
refractive index  1.6000 (estimate)
Flash point 102℃
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly, Sonicated)
form  Solid
pka 7.59±0.35(Predicted)
color  Off-White to Light Yellow
Specific Gravity 1.160
Merck  14,6742
BRN  1915198
Cosmetics Ingredients Functions UV ABSORBER
Cosmetic Ingredient Review (CIR) Octabenzone (1843-05-6)
InChI 1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3
InChIKey QUAMTGJKVDWJEQ-UHFFFAOYSA-N
SMILES CCCCCCCCOc1ccc(c(O)c1)C(=O)c2ccccc2
LogP 7.360 (est)
CAS DataBase Reference 1843-05-6(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances 2-HYDROXY-4-N-OCTOXY-BENZOPHENONE
FDA 21 CFR 178.2010(Antioxidants and/or stabilizers for polymers); 178.3710(Petroleum wax)
EWG's Food Scores 2
FDA UNII 73P3618V2E
NIST Chemistry Reference Octabenzone(1843-05-6)
EPA Substance Registry System 2-Hydroxy-4-octyloxybenzophenone (1843-05-6)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H317
Precautionary statements P280
Hazard Codes  Xi,N
Risk Statements  36/37/38-50/53-43
Safety Statements  26-36-61-60-36/37
RIDADR  UN 3077 9/PG 3
WGK Germany  1
RTECS  DJ1595000
TSCA  TSCA listed
HS Code  29145090
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1B
Hazardous Substances Data 1843-05-6(Hazardous Substances Data)
Toxicity LD50 oral in rat: > 10gm/kg
NFPA 704:
0
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