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Pentadecanoic acid

Pentadecanoic acid structure

CAS No:
1002-84-2
Formula:
C15H30O2
Chemical Name:
Pentadecanoic acid
Synonyms:
Pentadecanoic acid;Pentadecylic acid;n-Pentadecanoic acid;14FA;NSC 28486
Categories:
Chemical Reagents > Organic Reagents

Description

Pentadecylic acid is a saturated fatty acid with a 15-carbon backbone.

OtherSolid|Solid

Pentadecanoic acid is a straight-chain saturated fatty acid containing fifteen-carbon atoms. It has a role as a plant metabolite, a food component, a Daphnia magna metabolite, a human blood serum metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a pentadecanoate.|Pentadecylic Acid is a saturated fatty acid with a 15-carbon backbone. Pentadecylic acid is not normally synthesized by animals, but is found in trace amounts in dairy products.

Pentadecanoic acid Basic Attributes

Molecular Weight：

242.398

Exact Mass：

242.40

EC Number：

213-693-1

UNII：

CCW02D961F

NSC Number：

28486

DSSTox ID：

DTXSID2021652

NCI Thesaurus Code：

C68413

HScode：

2915900090

Characteristics

PSA：

37.30000

XLogP3：

6.62

Appearance：

OtherSolid

Density：

0.9±0.1 g/cm3

Melting Point：

52.3 °C

Boiling Point：

339.1 °C

Flash Point：

149.6±12.5 °C

Refractive Index：

1.452

Vapor Pressure：

4.35e-07 mmHg

Collision Cross Section：

162.72 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|165.59 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|165.34 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|165 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

RZ1925000

Marks：

Xi: Irritant;

Stability/Shelf Life：

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

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335-H413

GHS Classification：

|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 134 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

pentadecanoic acid

Pentadecanoic acid Use and Manufacturing

Uses

Agricultural chemicals (non-pesticidal)

Arts, crafts, and hobby materials

Manufacturing Info：

All other basic organic chemical manufacturing|Pentadecanoic acid: ACTIVE

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]

Computed Properties

Molecular Weight:242.40
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:13
Exact Mass:242.224580195
Monoisotopic Mass:242.224580195
Topological Polar Surface Area:37.3
Heavy Atom Count:17
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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