Diallyl phthalate 98%

CAT: 0286-D03760-02Size: 500 gDry Ice: NoHazardous: Yes

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CAT#:0286-D03760-02Size:500 g

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CAS Number

131-17-9

Synonyms

Allyl phthalate

UN Code

UN3082

Pictogram

07 - Irritant; 08 - Health Hazard; 09 - Environmental hazard

UDF Signal Word

Warning

MDL Number

MFCD00008646

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H410 Very toxic to aquatic life with long-lasting effects.

DOT Name

Environmentally Hazardous Substance, Liquid, N.O.S.

DOT Classification

Class 9

Packaging Group

PGIII

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Diallyl phthalate

Diallyl phthalate is a clear pale-yellow liquid. Odorless. (NTP, 1992)

CAS Number	131-17-9
PubChem CID	8560
IUPAC Name	bis(prop-2-enyl) benzene-1,2-dicarboxylate
Molecular Formula	C14H14O4
Molecular Weight	246.26
XLogP	3.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	290

SMILES

C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C

InChI

InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2

InChIKey

QUDWYFHPNIMBFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 131-17-9

CID: 8560

Formula: C14H14O4

MW: 246.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	246.26
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	246.08920892
Monoisotopic Mass	246.08920892
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	290
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

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Diallyl phthalate 98%

Chemical Information

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