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1471-03-0 molecular structure
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3-propoxyprop-1-ene

ChemBase ID: 138276
Molecular Formular: C6H12O
Molecular Mass: 100.15888
Monoisotopic Mass: 100.088815
SMILES and InChIs

SMILES:
CCCOCC=C
Canonical SMILES:
CCCOCC=C
InChI:
InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3
InChIKey:
LWJHSQQHGRQCKO-UHFFFAOYSA-N

Cite this record

CBID:138276 http://www.chembase.cn/molecule-138276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-propoxyprop-1-ene
IUPAC Traditional name
allyl propyl ether
Synonyms
Allyl propyl ether
烯丙基丙基醚
CAS Number
1471-03-0
MDL Number
MFCD00009375
PubChem SID
162232533
24857005
PubChem CID
15119

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
281921 external link Add to cart Please log in.
Data Source Data ID
PubChem 15119 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7351296  LogD (pH = 7.4) 1.7351296 
Log P 1.7351296  Molar Refractivity 31.4478 cm3
Polarizability 12.23915 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
90-92 °C(lit.) expand Show data source
Flash Point
23 °F expand Show data source
-5 °C expand Show data source
Density
0.767 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.399(lit.) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3271 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
11-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 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-H335 expand Show data source
GHS Precautionary statements
P210-P261-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 3271 3/PG 2 expand Show data source
Purity
95% expand Show data source
Linear Formula
CH3CH2CH2OCH2CH=CH2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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