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110-74-7 molecular structure
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110-74-7 molecular structure
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propyl formate

ChemBase ID: 109381
Molecular Formular: C4H8O2
Molecular Mass: 88.10512
Monoisotopic Mass: 88.0524295
SMILES and InChIs

SMILES:
 CCCOC=O
Canonical SMILES:
 CCCOC=O
InChI:
 InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
InChIKey:
 KFNNIILCVOLYIR-UHFFFAOYSA-N

Cite this record

CBID:109381 http://www.chembase.cn/molecule-109381.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propyl formate
IUPAC Traditional name
propyl formate
Synonyms
Formic acid n-propyl ester
n-Propyl formate
n-PROPYL FORMATE
n-Propyl methanoate
Propyl formate
甲酸正丙酯
甲酸正丙酯
甲酸丙酯
CAS Number
110-74-7
EC Number
203-798-0
MDL Number
MFCD00003295
Beilstein Number
1739272
Merck Index
147858
PubChem SID
24901411
162095237
24854762
24845933
PubChem CID
8073
FEMA ID
2943
Council of Europe Number
340
Flavis Number
9.073

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich W294306 external link Add to cart 245852 external link Add to cart 06559 external link Add to cart
MP Biomedicals 05210831 external link Add to cart
Alfa Aesar A18090 external link Add to cart
PubChem 8073 external link
Data Source Data ID Price
Sigma Aldrich
W294306 external link Add to cart Please log in.
245852 external link Add to cart Please log in.
06559 external link Add to cart Please log in.
MP Biomedicals
05210831 external link Add to cart Please log in.
Alfa Aesar
A18090 external link Add to cart Please log in.
Data Source Data ID
PubChem 8073 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 1  H Donor 0 
LogD (pH = 5.5) 0.75317997  LogD (pH = 7.4) 0.75317997 
Log P 0.75317997  Molar Refractivity 22.1949 cm3
Polarizability 8.888966 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 3  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
-93 °C(lit.) expand Show data source
-93°C expand Show data source
Boiling Point
80-81 °C(lit.) expand Show data source
80-81°C expand Show data source
Flash Point
26.6 °F expand Show data source
-3 °C expand Show data source
-4°C(25°F) expand Show data source
Auto Ignition Point
851 °F expand Show data source
Density
0.904 expand Show data source
0.904 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.3750 expand Show data source
n20/D 1.375(lit.) expand Show data source
n20/D 1.376 expand Show data source
Vapor Pressure
100 mmHg ( 29.5 °C) expand Show data source
50 mmHg ( 20 °C) expand Show data source
Vapor Density
3.03 (vs air) expand Show data source
Organoleptic
berry; green; ethereal; sweet expand Show data source
RTECS
LR0175000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1281 expand Show data source
UN1281 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
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-36/37-67 expand Show data source
R:11-36/37-67 expand Show data source
Safety Statements
9-16-24-33 expand Show data source
S:9-16-24-33 expand Show data source
TSCA Listed
是 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-H319-H335-H336 expand Show data source
H225-H319-H335-H336-H303 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
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 1281 3/PG 2 expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥97% expand Show data source
≥97.0% (GC) expand Show data source
97% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
HCOOCH2CH2CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05210831 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - W294306 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
4, 9 kg in steel drum
Sigma Aldrich - 245852 external link
Packaging
100 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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