nonanal

• ChemBase ID: 52522
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: C(=O)CCCCCCCC
• Canonical SMILES: CCCCCCCCC=O
• InChI: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
• InChIKey: GYHFUZHODSMOHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonanal
• IUPAC Traditional name: nonanal
• Synonyms: 1-Nonanal; Aldehyde C9; Nonyl aldehyde; Nonanal; n-NONYL ALDEHYDE; Nonanaldehyde; Nonaldehyde; Pelargonaldehyde; Aldehyde C-9; Nonanal; 九碳醛; 天竺葵醛; 正壬醛; 壬醛

Database IDs

• CAS Number: 124-19-6
• EC Number: 204-688-5
• MDL Number: MFCD00007030
• Beilstein Number: 1236701
• PubChem SID: 162057285; 24867983; 24897621; 24901324; 24886973
• PubChem CID: 31289
• Chemspider ID: 29029
• FEMA ID: 2782
• Unique Ingredient Identifier: 2L2WBY9K6T
• Wikipedia Title: Nonanal
• Council of Europe Number: 114
• Flavis Number: 5.025

CALCULATED PROPERTIES

• Acid pKa: 17.785515
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9859858
• LogD (pH = 7.4): 2.9859858
• Log P: 2.9859858
• Molar Refractivity: 43.9512 cm^3
• Polarizability: 17.387396 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Clear liquid
• Melting Point: -18 °C
• Boiling Point: 195 °C; 79-81°C/12mm; 93 °C/23 mmHg(lit.); 93°C/23mm
• Flash Point: 145.4 °F; 63 °C; 63°C(145°F)
• Density: 0.825; 0.827; 0.827 g/mL at 25 °C(lit.); 0.83
• Refractive Index: 1.4240; n20/D 1.424(lit.); n20/D 1.425
• Vapor Pressure: ~0.26 mmHg ( 25 °C)
• Organoleptic: apple; coconut; grape; grapefruit; lemon; lime; melon; oily; orange; waxy; nutty; fatty; citrus; peach; rose; fishy; meaty; vegetable

Safety Information

• Storage Warning: IRRITANT
• RTECS: RA5700000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26; 26-37; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95%; ≥95.0% (GC); 95%; 97%
• Grade: analytical standard; Halal; Kosher; NI; purum
• Packaging: ampule of 1000 mg
• Contains: tocopherol as stabilizer (may contain)
• Linear Formula: CH3(CH2)7CHO

DETAILS

MP Biomedicals - 05207969

MP Biomedicals Rare Chemical collection

Sigma Aldrich - N30803

Packaging
2, 25, 100 g in glass bottle

Sigma Aldrich - W278203

Biochem/physiol Actions
Taste at 3-10 ppm
Other Notes
Natural occurrence: Apple, avocado, balck currants, cooked beef, cucumber, fish, grapefruit, lemon, lime, mandarin, orange and peach.
Packaging
1 kg in glass bottle
1 sample in glass bottle
4, 8, 20 kg in comp drum