W280003

1-Octanol

≥98%, FCC, FG

• Synonym(s): Alcohol C₈, Capryl alcohol, Octyl alcohol
• Linear Formula: CH₃(CH₂)₇OH
• CAS Number: 111-87-5
• Molecular Weight: 130.23
• FEMA Number: 2800
• Beilstein/REAXYS Number: 1697461
• EC Number: 203-917-6
• Council of Europe no.: 54
• MDL number: MFCD00002988
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901178
• Flavis number: 2.006
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 172.515
• vapor density: 4.5 (vs air)
• vapor pressure: 0.14 mmHg ( 25 °C)
• assay: ≥98%
• form: liquid
• autoignition temp.: 523 °F
• refractive index: n20/D 1.429 (lit.)
• bp: 196 °C (lit.)
• mp: −15 °C (lit.)
• density: 0.827 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• organoleptic: fatty; green; citrus; waxy; floral; sweet
• SMILES string: CCCCCCCCO
• InChI: 1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
• InChI key: KBPLFHHGFOOTCA-UHFFFAOYSA-N
• Gene Information: mouse ... Chrna1(11435)

Description

General description

1-Octanol is one of the key flavor constituents of mushrooms.

Application

• Noncontact In Situ Multidiagnostic NMR/Dielectric Spectroscopy: Research highlighted the application of 1-octanol in enhancing spectroscopic analysis techniques, providing noncontact, in situ measurements for complex biological samples (Morais AF, Radhakrishnan S, Arbiv G, et al., 2024) Anal Chem.


• Development of a dispersive liquid-liquid microextraction method for the determination of plastic additives in seawater: Demonstrates the role of 1-octanol in environmental monitoring through the development of a microextraction method for assessing plastic additives in marine environments (González-Castro MJ, Uribe-Ares J, Muniategui-Lorenzo S, et al., 2024) Anal Methods.


• Application of novel metal organic framework-deep eutectic solvent/molecularly imprinted polymer multiple monolithic fiber for solid phase microextraction of amphetamines and modafinil in unauthorized medicinal supplements with GC-MS: This study utilizes 1-octanol in a novel solid phase microextraction method, highlighting its utility in forensic and pharmaceutical analysis (Kardani F, Khezeli T, Shariati S, et al., 2024) J Pharm Biomed Anal.

Biochem/physiol Actions

Blocks T-type Ca²⁺ channels

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H319,H412
• pcodes: P264 - P273 - P280 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Aquatic Chronic 3 - Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 187.7 °F
• flash_point_c: 86.5 °C
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter