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3648-21-3

3648-21-3 structural image
Product Name: DI-N-HEPTYL PHTHALATE
Formula: C22H34O4
Synonyms: Phthalic acid diheptyl ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Diheptyl phthalate appears as odorless white liquid. May float or sink in water. (USCG, 1999)
Color/Form Colorless liquid
Odor Practically odorless
Boiling Point 360 °C
Flash Point 224 °C c.c.
Solubility Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/
Density 1 at 68 °F (est.) (USCG, 1999)
Vapor Pressure 0.00000207 [mmHg]
LogP 7.6 (estimated)
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Kovats Retention Index 2485 2485 2500 2494 2495 2497 2472 2494 2497 2500 416.5 416.5
Other Experimental Properties 0.14% (by wt) of water in the phthalate
Chemical Classes Plastics & Rubber -> Phthalate Esters

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H361:Reproductive toxicity
Precautionary Statement Codes P201:Obtain special instructions before use.
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.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 362.5 g/mol
XLogP3 8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 16
Exact Mass 362.24570956 g/mol
Monoisotopic Mass 362.24570956 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 344
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

Diheptyl phthalate appears as odorless white liquid. May float or sink in water. (USCG, 1999)