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24823-81-2 molecular structure
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1,1,1-trimethoxypropane

ChemBase ID: 152155
Molecular Formular: C6H14O3
Molecular Mass: 134.17356
Monoisotopic Mass: 134.09429431
SMILES and InChIs

SMILES:
CCC(OC)(OC)OC
Canonical SMILES:
CCC(OC)(OC)OC
InChI:
InChI=1S/C6H14O3/c1-5-6(7-2,8-3)9-4/h5H2,1-4H3
InChIKey:
ZGMNAIODRDOMEK-UHFFFAOYSA-N

Cite this record

CBID:152155 http://www.chembase.cn/molecule-152155.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1-trimethoxypropane
IUPAC Traditional name
1,1,1-trimethoxypropane
Synonyms
1,1,1-Trimethoxypropane
Trimethyl orthopropionate
1,1,1-三甲氧基丙烷
原丙酸三甲酯
CAS Number
24823-81-2
MDL Number
MFCD00043305
Beilstein Number
1736043
PubChem SID
24886853
162246300
PubChem CID
141145

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
75604 external link Add to cart Please log in.
Data Source Data ID
PubChem 141145 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5257943  LogD (pH = 7.4) 1.5257943 
Log P 1.5257943  Molar Refractivity 34.864 cm3
Polarizability 13.889778 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
121-122 °C(lit.) expand Show data source
Flash Point
19 °C expand Show data source
66.2 °F expand Show data source
Density
0.944 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.398 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3272 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-36/38 expand Show data source
Safety Statements
16-26-36 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319 expand Show data source
GHS Precautionary statements
P210-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3272 3/PG 2 expand Show data source
Purity
≥95.0% (T) expand Show data source
Linear Formula
CH3CH2C(OCH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 75604 external link
Packaging
25 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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