Isobutylparaben Structure

Isobutylparaben

Chemical Properties

Melting point 76°C
Boiling point 302.3±15.0 °C(Predicted)
Density  1.105±0.06 g/cm3(Predicted)
vapor pressure  0.001Pa at 20℃
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
pka 8.17±0.15(Predicted)
form  Solid
color  White
Water Solubility  Insoluble in water.
BRN  2642305
Cosmetics Ingredients Functions PRESERVATIVE
ANTIMICROBIAL
Cosmetic Ingredient Review (CIR) Isobutylparaben (4247-02-3)
InChI InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKey XPJVKCRENWUEJH-UHFFFAOYSA-N
SMILES C(OCC(C)C)(=O)C1=CC=C(O)C=C1
LogP 3.43 at 23℃
Substances of Very High Concern (SVHC) Candidate List Isobutyl 4-hydroxybenzoate (4247-02-3)
CAS DataBase Reference 4247-02-3(CAS DataBase Reference)
EWG's Food Scores 5-8
FDA UNII 0QQJ25X58G
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Corrosion (GHS05)
Signal wordDanger
Hazard statements H315-H318
Precautionary statements P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
Hazard Codes  Xi,N
Risk Statements  51/53
Safety Statements  22-24/25-61
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  DH2247000
HazardClass  IRRITANT
HS Code  29182900
Storage Class 13 - Non Combustible Solids
Hazard Classifications Eye Dam. 1
Skin Irrit. 2
NFPA 704:
1
0 0

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