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W280003

Sigma-Aldrich

1-Octanol

≥98%, FCC, FG

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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:
1697461
EC Number:
203-917-6
Council of Europe no.:
54
MDL number:
MFCD00002988
PubChem Substance ID:
24901178
Flavis number:
2.006
NACRES:
NA.21

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)

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General description

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

Biochem/physiol Actions

Blocks T-type Ca2+ channels

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H319 - H410

Hazard Classifications

Aquatic Acute 1 - 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

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Aroma characteristics of Neungee (Sarcodon aspratus).
Jeong OJ, et al.
Korean Journal of Food Science and Technology, 33(3), 307-312 (2001)
Flavor compounds in king oyster mushrooms Pleurotus eryngii.
Mau JL, et al.
Journal of Agricultural and Food Chemistry, 46(11), 4587-4591 (1998)
Flavor compounds in straw mushrooms Volvariella volvacea harvested at different stages of maturity.
Mau JL, et al.
Journal of Agricultural and Food Chemistry, 45(12), 4726-4729 (1997)
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
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
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