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Merck
CN

W280011

1-Octanol

natural, ≥98%, FCC

Synonym(s):

Alcohol C8, Capryl alcohol, Octyl alcohol

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About This Item

Linear Formula:
CH3(CH2)7OH
CAS Number:
111-87-5
Molecular Weight:
130.23
FEMA Number:
2800
Council of Europe no.:
54c
UNSPSC Code:
12164502
PubChem Substance ID:
24901179
Flavis number:
2.006
EC Number:
203-917-6
NACRES:
NA.21
MDL number:
MFCD00002988
Beilstein/REAXYS Number:
1697461
Organoleptic:
fatty; green; citrus; waxy; floral; sweet
Grade:
Kosher
natural
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

1-Octanol, natural, ≥98%, FCC

SMILES string

CCCCCCCCO

InChI

1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChI key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

grade

Kosher
natural

agency

meets purity specifications of JECFA

reg. compliance

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

organoleptic

fatty; green; citrus; waxy; floral; sweet

Quality Level

300
400

Gene Information

mouse ... Chrna1(11435)

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Related Categories

Biochem/physiol Actions

Blocks T-type Ca2+ channels

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

187.7 °F

flash_point_c

86.5 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT3042
SHBP6270
SHBP8611
SHBQ2958
04916DHV

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Sophie Martel et al.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 48(1-2), 21-29 (2012-11-08)
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and target affinity of drug candidates. In early drug discovery stage, accurate tools for logP prediction are highly desired. Many calculation methods were developed to aid
Ashraf S Al-Madhoun et al.
Cancer research, 64(17), 6280-6286 (2004-09-03)
Thymidine analogs containing o-carboranylalkyl groups at the 3-position were screened as potential substrates for human thymidine kinase 1 (TK1), an enzyme that is selectively expressed in a variety of rapidly proliferating cells, including tumor cells. On the basis of previous
J Franco et al.
Acta biomaterialia, 6(1), 218-228 (2009-07-01)
The development of materials to support bone regeneration requires flexible fabrication technologies able to tailor chemistry and architecture for specific applications. In this work we describe the preparation of ceramic-based inks for robotic-assisted deposition (robocasting) using Pluronic F-127 solutions. This
Angelika Stenzel et al.
Environmental science & technology, 47(3), 1399-1406 (2013-01-19)
Polyparameter linear free energy relationships (pp-LFERs) can predict partition coefficients for a multitude of environmental and biological phases with high accuracy. In this work, the pp-LFER substance descriptors of 40 established and alternative flame retardants (e.g., polybrominated diphenyl ethers, hexabromocyclododecane
H Okazawa et al.
Journal of nuclear medicine : official publication, Society of Nuclear Medicine, 35(12), 1910-1915 (1994-12-01)
Copper-62-pyruvaldehyde bis(N4-methylthiosemicarbazone) copper II (62Cu-PTSM) has been proposed as a generator-produced positron-emitting tracer for perfusion imaging. To evaluate the characteristics of 62Cu-PTSM as a cerebral perfusion tracer, brain PET images of 62Cu-PTSM were compared with cerebral blood flow (CBF). Following
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