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Tridecanoic acid

Tridecanoic acid structure

CAS No:
638-53-9
Formula:
C13H26O2
Chemical Name:
Tridecanoic acid
Synonyms:
Tridecanoic acid;n-Tridecoic acid;Tridecylic acid;n-Tridecanoic acid;NSC 25955;NSC 69131;2243150-89-0
Categories:
Chemical Reagents > Organic Reagents

Description

White crystalline solid; waxy, woody aroma. off-white or white crystals or powder

Solid

Tridecanoic acid is a C13 straight-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tridecanoate.

Tridecanoic acid Basic Attributes

Molecular Weight：

214.34

Exact Mass：

214.34

EC Number：

268-105-6

UNII：

19936LIY2V

NSC Number：

69131|25955

DSSTox ID：

DTXSID4021684

HScode：

2915900090

Characteristics

PSA：

37.3

XLogP3：

4.7

Appearance：

Solid

Density：

0.9582 g/cm³ @ Temp: 20 °C

Melting Point：

44.5 °C

Boiling Point：

312.4 °C

Flash Point：

139.6±12.5 °C

Refractive Index：

1.450

Water Solubility：

33mg/L(20 ºC)

Vapor Pressure：

1.26e-05 mmHg

Collision Cross Section：

155.16 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

YD3850000

Marks：

Xi: Irritant;

Stability/Shelf Life：

Stable. Incompatible with bases, oxidizing agents, reducing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

Not Classified| |Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 155 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Tridecanoic acid Use and Manufacturing

Uses

Organic synthesis, medical research.

Intermediates

Laundry and dishwashing products

Manufacturing Info：

All other basic inorganic chemical manufacturing|Fatty acids, C10-16: ACTIVE|Tridecanoic acid: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Surfactants|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]

Computed Properties

Molecular Weight:214.34
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:214.193280068
Monoisotopic Mass:214.193280068
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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