94-26-8

Product Name: Butylparaben

Formula: C11H14O3

Synonyms: p-Hydroxybenzoic acid n-butyl ester;4-Hydroxybenzoic acid butyl ester;Butyl paraben;SPF

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	N-butyl-p-hydroxybenzoate appears as odorless white crystals or crystalline powder. Tasteless, but numbs the tongue. Aqueous solutions slightly acidic to litmus. (NTP, 1992)
Color/Form	Small, colorless crystals or powder
Odor	Odorless
Boiling Point	156.00 to 157.00 °C. @ 3.50 mm Hg
Melting Point	154 to 156 °F (NTP, 1992)
Flash Point	181 °C
Solubility	less than 1 mg/mL at 63 °F (NTP, 1992)
Vapor Pressure	0.000186 [mmHg]
LogP	log Kow = 3.57
Stability/Shelf Life	Stable under recommended storage conditions.
Autoignition Temperature	495 °C
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
Dissociation Constants	pKa = 8.47
Collision Cross Section	150.14 Å² [M-H]-
Kovats Retention Index	1671 1665
Other Experimental Properties	Very hygroscopic
Chemical Classes	Other Uses -> Preservatives

SAFETY INFORMATION

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05
GHS Hazard Statements	H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation
Precautionary Statement Codes	P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight	194.23 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.094294304 g/mol
Monoisotopic Mass	194.094294304 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

PRODUCT INTRODUCTION

description

N-butyl-p-hydroxybenzoate appears as odorless white crystals or crystalline powder. Tasteless, but numbs the tongue. Aqueous solutions slightly acidic to litmus. (NTP, 1992)