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706-14-9 molecular structure
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5-hexyloxolan-2-one

ChemBase ID: 90461
Molecular Formular: C10H18O2
Molecular Mass: 170.24872
Monoisotopic Mass: 170.13067982
SMILES and InChIs

SMILES:
O1C(CCC1=O)CCCCCC
Canonical SMILES:
CCCCCCC1CCC(=O)O1
InChI:
InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
InChIKey:
IFYYFLINQYPWGJ-UHFFFAOYSA-N

Cite this record

CBID:90461 http://www.chembase.cn/molecule-90461.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hexyloxolan-2-one
IUPAC Traditional name
gamma-decalactone
Synonyms
gamma-Decalactone
4-Decanolide
gamma-Decanolactone
4-Hydroxydecanoic acid γ-lactone
γ-Decanolactone
5-hexyldihydrofuran-2(3H)-one
gamma-Decanolactone
γ-Decanolactone
γ-Decalactone
4-Decanolide
γ-DECALACTONE
γ-十烷酸内酯
4-羟基癸酸γ-内酯
丙位癸内酯
丙位癸内酯
γ-癸内酯
CAS Number
706-14-9
EC Number
211-892-8
MDL Number
MFCD00005404
Beilstein Number
117547
PubChem SID
24858483
162077267
24894183
24901012
PubChem CID
12813
FEMA ID
2360
Council of Europe Number
2230
Flavis Number
10.017

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8669233  LogD (pH = 7.4) 2.8669233 
Log P 2.8669233  Molar Refractivity 47.6549 cm3
Polarizability 19.182886 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Boiling Point
150-153°C/15mm expand Show data source
281 °C expand Show data source
Flash Point
>110°C expand Show data source
113 °C expand Show data source
146°C(294°F) expand Show data source
235.4 °F expand Show data source
Density
0.948 expand Show data source
0.948 g/mL at 25 °C(lit.) expand Show data source
0.952 g/mL at 25 °C expand Show data source
Refractive Index
1.500 expand Show data source
n20/D 1.449 expand Show data source
n20/D 1.449(lit.) expand Show data source
Organoleptic
peach expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
LU4600000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
FCC expand Show data source
FDA 21 CFR (172.515) expand Show data source
Gene Information
human ... CYP1A2(1544) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥97.0% expand Show data source
≥97.0% (GC) expand Show data source
≥98% expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
FG expand Show data source
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H18O2 expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - W236004 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in poly drum
Sigma Aldrich - D804 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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