Home > Compound List > Compound details
112-66-3 molecular structure
click picture or here to close

dodecyl acetate

ChemBase ID: 104226
Molecular Formular: C14H28O2
Molecular Mass: 228.37092
Monoisotopic Mass: 228.20893014
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOC(=O)C
Canonical SMILES:
CCCCCCCCCCCCOC(=O)C
InChI:
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
InChIKey:
VZWGRQBCURJOMT-UHFFFAOYSA-N

Cite this record

CBID:104226 http://www.chembase.cn/molecule-104226.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecyl acetate
IUPAC Traditional name
dodecyl acetate
Synonyms
Lauryl acetate
Lauryl acetate
Dodecyl acetate
Dodecyl acetate
Acetate C-12
Acetic acid, dodecyl ester
Dodecanol acetate
LAURYL ACETATE
乙酸月桂酯
醋酸十二酯
乙酸月桂酯
醋酸十二酯
CAS Number
112-66-3
EC Number
203-995-1
MDL Number
MFCD00008973
PubChem SID
24893660
24901208
162091063
PubChem CID
8205
FEMA ID
2616
Council of Europe Number
200
Flavis Number
9.01

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8205 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.8029966  LogD (pH = 7.4) 4.8029966 
Log P 4.8029966  Molar Refractivity 68.0944 cm3
Polarizability 27.283884 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Boiling Point
150 °C/15 mmHg(lit.) expand Show data source
150°C @15 mm Hg expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.86 g/ml expand Show data source
0.865 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.432(lit.) expand Show data source
Organoleptic
citrus; rose expand Show data source
Storage Condition
2-8°C expand Show data source
RTECS
AH3525000 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
2 expand Show data source
Risk Statements
53 expand Show data source
GHS Hazard statements
H413 expand Show data source
Regulation Compliance
FDA 21 CFR (172.515) expand Show data source
Allergens
no known allergens expand Show data source
Purity
~99% expand Show data source
≥98% expand Show data source
97% expand Show data source
Grade
Kosher expand Show data source
NI expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
CH3CO2(CH2)11CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204311 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02155179 external link
Purity: ~99% 1 ml = approx. 0.86 g
Sigma Aldrich - W261602 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
4, 9 kg in poly drum
Sigma Aldrich - D221953 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle