Methyl sorbate 95%

CAT: 0286-M27958-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0286-M27958-01Size:5 g

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CAS Number

689-89-4

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00038319

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.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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

Methyl sorbate

Methyl sorbate is a fatty acid ester.

CAS Number	689-89-4
PubChem CID	5323650
IUPAC Name	methyl (2E,4E)-hexa-2,4-dienoate
Molecular Formula	C7H10O2
Molecular Weight	126.15
XLogP	1.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	134

SMILES

C/C=C/C=C/C(=O)OC

InChI

InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+

InChIKey

KWKVAGQCDSHWFK-VNKDHWASSA-N

Chemical Structure

2D Structure

CAS: 689-89-4

CID: 5323650

Formula: C7H10O2

MW: 126.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	126.068079557
Monoisotopic Mass	126.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-W068700-01	Methyl sorbate
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462871-01	Potassium Sorbate
IN11934-01	Calcium Sorbate
E8570-01	ETHYL SORBATE

Methyl sorbate 95%

Chemical Information

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