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Safety Information

W280011

Sigma-Aldrich

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
Beilstein:
1697461
EC Number:
203-917-6
Council of Europe no.:
54c
MDL number:
MFCD00002988
UNSPSC Code:
12164502
PubChem Substance ID:
24901179
Flavis number:
2.006
NACRES:
NA.21

grade

Kosher
natural

Quality Level

400

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

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)

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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

Signal Word

Warning

Hazard Statements

H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

187.7 °F

Flash Point(C)

86.5 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W280011-1KG-K:4548173973081
W280011-8KG:
W280011-SAMPLE:
W280011-4KG-K:4548173973098
W280011-8KG-K:
W280011-BULK-K:
W280011-4KG:
W280011-1KG:
W280011-VAR-K:
W280011-SAMPLE-K:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP6270
SHBP8611
SHBQ2958
04916DHV
SHBM7026

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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
R O Potts et al.
Pharmaceutical research, 9(5), 663-669 (1992-05-01)
Published permeability coefficient (Kp) data for the transport of a large group of compounds through mammalian epidermis were analyzed by a simple model based upon permeant size [molecular volume (MV) or molecular weight (MW)] and octanol/water partition coefficient (Koct). The
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
Cristian Gobbo et al.
ACS nano, 6(12), 10684-10698 (2012-12-12)
Controlling the molecular conformation of oligomers on surfaces through noncovalent interactions symbolizes an important approach in the bottom-up patterning of surfaces with nanoscale precision. Here we report on the design, synthesis, and scanning tunneling microscopy (STM) investigation of linear oligoamides
B D Anderson et al.
The Journal of investigative dermatology, 93(2), 280-286 (1989-08-01)
The permeability coefficients (kp) of a series of methyl-substituted p-cresols were determined in human stratum corneum along with their partition coefficients (PC) between water and untreated stratum corneum, delipidized stratum corneum, octanol, and heptane. The PC values were identical in
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