ChemicalBook--->CAS DataBase List--->818-72-4

818-72-4

818-72-4 Structure

818-72-4 Structure
IdentificationMore
[Name]

1-Octyn-3-ol
[CAS]

818-72-4
[Synonyms]

(+/-)-1-OCTYN-3-OL
1-OCTYN-3-OL
1-OCTYNE-3-OL
1-OCTYNOL-3
ETHYNYL N-PENTYL CARBINOL
TIMTEC-BB SBB009107
oct-1-yne-3-ol
n-Amyl ethynyl carbinol
1-Octyn-3-ol,98%
[EINECS(EC#)]

212-455-4
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00004588
[Molecular Weight]

126.2
[MOL File]

818-72-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellowish liquid
[Melting point ]

-60 °C
[Boiling point ]

83 °C/19 mmHg (lit.)
[density ]

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

n20/D 1.441(lit.)
[Fp ]

147 °F
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

3.4g/l
[form ]

clear liquid
[pka]

13.41±0.20(Predicted)
[color ]

Colorless to Light yellow to Light orange
[Water Solubility ]

3.4 g/L (20 ºC)
[BRN ]

1098642
[LogP]

2.090 (est)
[CAS DataBase Reference]

818-72-4(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Octyn-3-ol(818-72-4)
[EPA Substance Registry System]

818-72-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

2810
[WGK Germany ]

3
[RTECS ]

RI2737000
[F ]

9-23
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29052990
[Toxicity]

LD50 orl-mus: 460 mg/kg THERAP 11,692,56
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Octyn-3-ol(818-72-4).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellowish liquid
[Uses]

1-Octyn-3-ol was used in the synthesis of synthetic tricolorin A which is an organic chemical.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 40, p. 2250, 1975 DOI: 10.1021/jo00903a029
[General Description]

1-Octyn-3-ol is a racemic intermediate formed during the synthesis of enantiomerically pure secondary alcohols with sterically similar substituents.
[Safety Profile]

Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andirritating vapors.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Octyn-3-ol(818-72-4)MS
1-Octyn-3-ol(818-72-4)1HNMR
1-Octyn-3-ol(818-72-4)13CNMR
1-Octyn-3-ol(818-72-4)IR1
1-Octyn-3-ol(818-72-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Octyn-3-ol, 98%(818-72-4)
[Sigma Aldrich]

818-72-4(sigmaaldrich)
[TCI AMERICA]

1-Octyn-3-ol,>98.0%(GC)(818-72-4)
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