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Palmitoleic acid

Palmitoleic acid structure

CAS No:
373-49-9
Formula:
C16H30O2
Chemical Name:
Palmitoleic acid
Synonyms:
9-Hexadecenoic acid,(9Z)-;9-Hexadecenoic acid,(Z)-;Palmitoleic acid;(9Z)-9-Hexadecenoic acid;cis-Δ9-Hexadecenoic acid;cis-9-Hexadecenoic acid;9-cis-Hexadecenoic acid;(Z)-9-Hexadecenoic acid;Zoomeric acid;cis-Palmitoleic acid;C16:1;Oleopalmitic acid;9Z-Hexadecenoic acid;9-Hexadecenoic acid;(Z)-Hexadec-9-enoic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

(Z)-Hexadec-9-enoic acid, a composition of fatty acid, is implicated in the prevention of death from cerebrovascular disorders in SHRSP rats.

Liquid

Palmitoleic acid is a hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration. It has a role as an EC 3.1.1.1 (carboxylesterase) inhibitor, a Daphnia galeata metabolite, a human blood serum metabolite, an algal metabolite and an Escherichia coli metabolite. It is a conjugate acid of a palmitoleate.

Palmitoleic acid Basic Attributes

Molecular Weight：

254.41

Exact Mass：

254.41

EC Number：

206-765-9

UNII：

209B6YPZ4I

DSSTox ID：

DTXSID0041197

HScode：

2916190090

Characteristics

PSA：

37.3

XLogP3：

6.4

Appearance：

Clear Liquid

Density：

0.9±0.1 g/cm3

Melting Point：

-0.1 °C

Boiling Point：

146 °C @ Press: 0.4 Torr

Flash Point：

62 °C

Refractive Index：

1.466

Water Solubility：

0.1334 mg/L @ 25 °C (est)

Storage Conditions：

−20°C

Collision Cross Section：

167.86 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|167.3 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|167.95 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|167.3 Å² [M-H]-

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

36/37/38

safety instructions：

37/39-26-36

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P337 + P313

Hazard Statements：

H315-H319-H335

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 152 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

C16:1 trans-9

Palmitoleic acid Use and Manufacturing

Uses

Palmitoleic Acid is a polyunsaturated fatty acid which contributes to reduced protein oxidation in mammals when added as a dietary supplement.

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] -> Unsaturated fatty acids [FA0103]

Computed Properties

Molecular Weight:254.41
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:13
Exact Mass:254.224580195
Monoisotopic Mass:254.224580195
Topological Polar Surface Area:37.3
Heavy Atom Count:18
Complexity:209
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 373-49-9

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