W240001

Sigma-Aldrich

γ-Dodecalactone

≥97%, FCC, FG

Synonym(s):
(±)-4-Dodecanolide, (±)-γ-Octyl-γ-butyrolactone, (±)-Dihydro-5-octyl-2(3H)-furanone
Empirical Formula (Hill Notation):
C12H22O2
CAS Number:
Molecular Weight:
198.30
FEMA Number:
2400
Beilstein/REAXYS Number:
126680
EC Number:
Council of Europe no.:
2240
MDL number:
PubChem Substance ID:
Flavis number:
10.019
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117

assay

≥97%

refractive index

n20/D 1.452 (lit.)

bp

130-132 °C/1.5 mmHg (lit.)

mp

17-18 °C (lit.)

density

0.936 g/mL at 25 °C (lit.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

coconut; creamy; fatty; fruity; peach; sweet

food allergen

no known allergens

SMILES string

CCCCCCCCC1CCC(=O)O1

InChI

1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3

InChI key

WGPCZPLRVAWXPW-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544)

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Packaging

100 g in poly bottle
1 kg in poly bottle
5 kg in poly drum

Other Notes

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 2

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the...

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