Methyl tridecanoate 97%

CAT: 0286-M29690-01Size: 5 mLDry Ice: NoHazardous: Yes

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CAT#:0286-M29690-01Size:5 mL

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CAS Number

1731-88-0

Synonyms

Tridecanoic acid methyl ester

UN Code

UN1760

Pictogram

05 - Corrosive; 07 - Irritant

UDF Signal Word

Danger

MDL Number

MFCD00008977

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Corrosive Liquid, N.O.S.

DOT Classification

Class 8

Packaging Group

PGIII

Precautions

P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; 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; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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 tridecanoate

Methyl tridecanoate is a fatty acid methyl ester.

CAS Number	1731-88-0
PubChem CID	15608
IUPAC Name	methyl tridecanoate
Molecular Formula	C14H28O2
Molecular Weight	228.37
XLogP	6.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	16
Formal Charge	0
Complexity	155

SMILES

CCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3

InChIKey

JNDDPBOKWCBQSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1731-88-0

CID: 15608

Formula: C14H28O2

MW: 228.37

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	228.37
XLogP3	6.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	228.208930132
Monoisotopic Mass	228.208930132
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	155
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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Methyl tridecanoate 97%

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