propan-2-yl tetradecanoate

• ChemBase ID: 104385
• Molecular Formular: C17H34O2
• Molecular Mass: 270.45066
• Monoisotopic Mass: 270.25588033
• SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
• Canonical SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
• InChI: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
• InChIKey: AXISYYRBXTVTFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl tetradecanoate
• IUPAC Traditional name: promyr; isopropyl myristate
• Synonyms: Tetradecanoic acid isopropyl ester; Isopropyl tetradecanoate; MYRISTIC ACID ISOPROPYL ESTER; ISOPROPYL MYRISTATE; Isopropyl tetradecanoate; Isopropyl myristate; MYRISTIC ACID ISOPROPYL ESTER; IPM 100; IPM-EX; IPM-R; IPM; Isopropyl myristate; Tetradecanoic acid, 1-methylethyl ester; 豆蔻酸异丙酯; 十四碳酸异丙酯; 十四酸异丙酯; 肉豆蔻酸异丙酯

Database IDs

• CAS Number: 110-27-0
• EC Number: 203-751-4
• MDL Number: MFCD00008982
• Beilstein Number: 1781127
• PubChem SID: 24850403; 24901779; 24886054; 24896567; 162091823
• PubChem CID: 8042
• FEMA ID: 3556
• Wikipedia Title: Isopropyl_myristate
• Council of Europe Number: 386
• Flavis Number: 9.105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.2867227
• LogD (pH = 7.4): 6.2867227
• Log P: 6.2867227
• Molar Refractivity: 81.8181 cm^3
• Polarizability: 32.81786 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 0°C; ca. 0 °C
• Boiling Point: 167 °C (9 mmHg); 191-194°C/20mm; 193 °C/20 mmHg(lit.); ca. 170 °C at 2 hPa
• Flash Point: > 175 °C (closed cup); 152 °C; 152°C(306°F); 305.6 °F
• Density: .8532 g/cm^3 at 20 °C; 0.85; 0.85 g/cm3, liquid; 0.85 g/mL at 25 °C(lit.); 0.8532 g/ml
• Refractive Index: n20/D 1.434(lit.); n20/D 1.435
• Vapor Pressure: .00117 hPa at 20 °C
• Organoleptic: cheese; cherry; cinnamon; waxy; wine-like

Safety Information

• Storage Condition: 2-8°C, Protect from light
• RTECS: XB8600000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: nwg
• Risk Statements: 38; R38
• Safety Statements: 26-37; S24/25
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H303
• GHS Precautionary statements: P280-P302+P352-P321-P362-P312-P332+P313
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥90% (GC); ≥98%; ≥98.0% (GC); 98%
• Grade: certified reference material; Halal; Kosher; purum
• Packaging: pkg of 1 g
• Acid Value: ≤1
• Iodine Value: ≤1 g I2/100 g
• Pharmacopeia Traceability: traceable to PhEur I0750000; traceable to USP 1350400
• Linear Formula: CH3(CH2)12COOCH(CH3)2

DETAILS

MP Biomedicals - 05209270

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155753

(Isopropyl myristate) Purity: 98% 1 ml = approx. 0.85 g

Sigma Aldrich - M0757

包装
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 172472

Packaging
1 L in glass bottle
25 mL in glass bottle

Sigma Aldrich - W355690

Biochem/physiol Actions
Odor at 1.0%
Taste at 10 ppm
Packaging
1 kg in glass bottle
1 sample in glass bottle
8, 20 kg in poly drum

Sigma Aldrich - PHR1123

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.