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31080-39-4

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31080-39-4 Structure

31080-39-4 Structure
IdentificationBack Directory
[Name]

2-PROPYLHEPTANOIC ACID
[CAS]

31080-39-4
[Synonyms]

2-propylheptansaeure
2-propylheptanicacid
2-propyl-heptanoicaci
2-PROPYLHEPTANOIC ACID
Heptanoic acid, 2-propyl-
2-n-Propyl-1-heptanoic acid
2-n-Propylheptanoic acid, 97%
2-Propylheptanoic acid/ Isodecanoic acid
[EINECS(EC#)]

202-110-6
[Molecular Formula]

C10H20O2
[MDL Number]

MFCD01723758
[MOL File]

31080-39-4.mol
[Molecular Weight]

172.26
Chemical PropertiesBack Directory
[Boiling point ]

262.98°C (estimate)
[density ]

0.9047 (rough estimate)
[refractive index ]

1.4192 (estimate)
[RTECS ]

MJ2320000
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

4.82±0.40(Predicted)
[color ]

Colorless to pale yellow
[InChI]

1S/C10H20O2/c1-3-5-6-8-9(7-4-2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
[InChIKey]

RXGPYPPCEXISOV-UHFFFAOYSA-N
[SMILES]

CCCCCC(C(O)=O)CCC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[WGK Germany ]

WGK 3
[Storage Class]

10 - Combustible liquids
[Toxicity]

LDLo orl-rat: 2500 mg/kg ARZNAD 3,86,53
Spectrum DetailBack Directory
[Spectrum Detail]

2-PROPYLHEPTANOIC ACID(31080-39-4)1HNMR
Hazard InformationBack Directory
[Safety Profile]

Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andirritating fumes.
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