methyl hexadecanoate

• ChemBase ID: 102269
• Molecular Formular: C17H34O2
• Molecular Mass: 270.45066
• Monoisotopic Mass: 270.25588033
• SMILES: CCCCCCCCCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC
• InChI: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
• InChIKey: FLIACVVOZYBSBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl hexadecanoate
• IUPAC Traditional name: methyl hexadecanoate
• Synonyms: Palmitic acid methyl ester; Methyl palmitate; PALMITIC ACID METHYL ESTER; Methyl palmitate; Methyl hexadecanoate; METHYL PALMITATE; 十六酸甲酯; 软脂酸甲酯; 棕榈酸甲酯

Database IDs

• CAS Number: 112-39-0
• EC Number: 203-966-3
• MDL Number: MFCD00008994
• Beilstein Number: 1780973
• PubChem SID: 24898607; 162088134; 24886950; 24902044
• PubChem CID: 8181
• Council of Europe Number: 581
• Flavis Number: 9.18

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.402477
• LogD (pH = 7.4): 6.402477
• Log P: 6.402477
• Molar Refractivity: 81.8527 cm^3
• Polarizability: 32.81786 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 28-34°C; 29-30 °C; 32-34°C; 32-35 °C(lit.)
• Boiling Point: 135-137°C/0.2mm; 163-164°C; 185 °C/10 mmHg(lit.)
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.852; 0.852 g/ml; 0.852 g/mL at 25 °C(lit.)
• Refractive Index: 1.4512; n20/D 1.4512(lit.)

Safety Information

• Storage Condition: 0°C, Store Under Nitrogen
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... CNR1(1268), CNR2(1269)rat ... Faah(29347)
• Allergens: no known allergens

Product Information

• Purity: ≥99%; ≥97%; ≥99% (capillary GC); ≥99.0% (GC); 95+%; 97%
• Grade: analytical standard; analytical standard, for environmental analysis; TECHNICAL
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)14CO2CH3

DETAILS

MP Biomedicals - 05215454

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02102340

Technical Grade

MP Biomedicals - 02100910

Crystalline
Purity: 99+%

Sigma Aldrich - P5177

包装
1, 5, 25 g in glass bottle
Biochem/physiol Actions
Methyl palmitate has anti-inflammatory and anti-fibrotic effect. Methyl palmitate prevents bleomycin-induced lung inflammation and fibrosis in rats, by inhibiting NF-κB 1. Methyl palmitate also prevents CCl4-induced liver fibrosis linked to reduced TGF-β 2.

Sigma Aldrich - 309931

Packaging
100 g in glass bottle
Biochem/physiol Actions
Methyl palmitate has anti-inflammatory and anti-fibrotic effect. Methyl palmitate prevents bleomycin-induced lung inflammation and fibrosis in rats, by inhibiting NF-κB 1. Methyl palmitate also prevents CCl4-induced liver fibrosis linked to reduced TGF-β 2.

Sigma Aldrich - W509531

Packaging
1 kg in glass bottle
1 sample in glass bottle
4, 8 kg in poly drum
Biochem/physiol Actions
Methyl palmitate has anti-inflammatory and anti-fibrotic effect. Methyl palmitate prevents bleomycin-induced lung inflammation and fibrosis in rats, by inhibiting NF-κB 1. Methyl palmitate also prevents CCl4-induced liver fibrosis linked to reduced TGF-β 2.

Sigma Aldrich - 76160

Biochem/physiol Actions
Methyl palmitate has anti-inflammatory and anti-fibrotic effect. Methyl palmitate prevents bleomycin-induced lung inflammation and fibrosis in rats, by inhibiting NF-κB 1. Methyl palmitate also prevents CCl4-induced liver fibrosis linked to reduced TGF-β 2.

Sigma Aldrich - 76159

Biochem/physiol Actions
Methyl palmitate has anti-inflammatory and anti-fibrotic effect. Methyl palmitate prevents bleomycin-induced lung inflammation and fibrosis in rats, by inhibiting NF-κB 1. Methyl palmitate also prevents CCl4-induced liver fibrosis linked to reduced TGF-β 2.

Sigma Aldrich - 46235

Biochem/physiol Actions
Methyl palmitate has anti-inflammatory and anti-fibrotic effect. Methyl palmitate prevents bleomycin-induced lung inflammation and fibrosis in rats, by inhibiting NF-κB 1. Methyl palmitate also prevents CCl4-induced liver fibrosis linked to reduced TGF-β 2.