ChemicalBook--->CAS DataBase List--->5663-96-7

5663-96-7

5663-96-7 Structure

5663-96-7 Structure
IdentificationMore
[Name]

2-OCTYNOIC ACID
[CAS]

5663-96-7
[Synonyms]

2-OCTYNOIC ACID
OCT-2-YNOIC ACID
RARECHEM AL BE 0742
2-Octyn-1-oic acid
m-Pentyl propiolate
m-pentylpropiolate
Propiolic acid, pentyl-
Propiolic acid, pentyl ester
2-Octynoicacid,98%
2-OCTANOIC ACID
META-PENTYLPROPIOLATE
2-OCTYNOIC ACID 96%
[EINECS(EC#)]

227-121-3
[Molecular Formula]

C8H12O2
[MDL Number]

MFCD00004364
[Molecular Weight]

140.18
[MOL File]

5663-96-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

2-5 °C(lit.)
[Boiling point ]

148-149 °C19 mm Hg(lit.)
[density ]

0.961 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.46(lit.)
[Fp ]

214 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[pka]

2.45±0.10(Predicted)
[color ]

Yellow
[CAS DataBase Reference]

5663-96-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[RTECS ]

RI2725000
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29161995
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Definition]

ChEBI: Octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings.
[Synthesis Reference(s)]

Synthesis, p. 498, 1987 DOI: 10.1055/s-1987-27983
Spectrum DetailBack Directory
[Spectrum Detail]

2-OCTYNOIC ACID(5663-96-7)MS
2-OCTYNOIC ACID(5663-96-7)1HNMR
2-OCTYNOIC ACID(5663-96-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Octynoic acid, 98%(5663-96-7)
[Alfa Aesar]

2-Octynoic acid, 98%(5663-96-7)
[Sigma Aldrich]

5663-96-7(sigmaaldrich)
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