ChemicalBook--->CAS DataBase List--->78-27-3

78-27-3

78-27-3 Structure

78-27-3 Structure
IdentificationMore
[Name]

1-Ethynyl-1-cyclohexanol
[CAS]

78-27-3
[Synonyms]

1-ETHINYL-1-CYCLOHEXANOL
1-ETHYNYL-1-CYCLOHEXANOL
1-ETHYNYLCYCLOHEXANOL
TIMTEC-BB SBB008829
(1-Hydroxycyclohexyl)ethyne
1-ethvnvl-1-cvclohexanol
1-Ethynyl-1-hydroxycyclohexane
1-Ethynylcyclohexan-1-ol
1-ethynyl-cyclohexano
1-Hydroxy-1-ethynylcyclohexane
Ethynylcyclohexanol
nsc8194
Cyclohexyl ethynyl carbinol
1-ETHYNYL-1-CYCLOHEXANOL 99+%
Cyclohexanol, 1-ethynyl-(6CI, 8CI, 9CI)
1-Ethynyl-1-cyclohexanol,98%
Cyclohexanol, 1-ethynyl-
1-Ethin-1-cyclohexanol
1-ETHYNYLCYCLOHEXANOL-1
(1-Hydroxycyclohexyl)acetylene
[EINECS(EC#)]

201-100-9
[Molecular Formula]

C8H12O
[MDL Number]

MFCD00003858
[Molecular Weight]

124.18
[MOL File]

78-27-3.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid
[Melting point ]

30-33 °C(lit.)
[Boiling point ]

180 °C(lit.)
[density ]

0.967 g/mL at 25 °C(lit.)
[vapor pressure ]

<1 mm Hg ( 20 °C)
[refractive index ]

1.481-1.484
[Fp ]

163 °F
[storage temp. ]

2-8°C
[solubility ]

10 g/L (20°C)
[form ]

Liquid After Melting
[pka]

13.34±0.20(Predicted)
[color ]

Clear colorless to light yellow
[PH]

7 (1g/l, H2O, 20℃)
[explosive limit]

1.3-8.7%(V)
[Water Solubility ]

10 g/L (20 ºC)
[Detection Methods]

NMR,MS,GC
[BRN ]

471404
[InChI]

1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
[InChIKey]

QYLFHLNFIHBCPR-UHFFFAOYSA-N
[SMILES]

OC1(CCCCC1)C#C
[LogP]

1.49 at 25℃
[Uses]

Stabilization of chlorinated organic compounds, intermediate, corrosion inhibitor for mineral acids, medicine (sedative).
[CAS DataBase Reference]

78-27-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Cyclohexanol, 1-ethynyl-(78-27-3)
[EPA Substance Registry System]

78-27-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H302-H311-H315-H319
[Precautionary statements ]

P264-P270-P280-P301+P312-P302+P352+P312-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R21/22:Harmful in contact with skin and if swallowed .
R36:Irritating to the eyes.
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 .
S36/37/39:Wear suitable protective clothing, 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 ]

UN 2811 6.1/PG 3
[WGK Germany ]

1
[RTECS ]

GV9100000
[Autoignition Temperature]

365 °C
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29061900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
[Toxicity]

LD50 orally in Rabbit: 583 mg/kg LD50 dermal Rabbit 973 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Ethyl acetate-->Diethyl ether-->Tetrahydrofuran-->Dichloromethane-->Ammonium chloride-->Cyclohexanone-->Potassium tert-butoxide-->Acetylene
[Preparation Products]

1-ACETYL-1-CYCLOHEXENE-->ETHINAMATE-->Carbamic acid, ethyl-, 1-ethynylcyclohexyl ester (6CI)-->1-(1-Cyclohexenyl)-1-propyne-->Allophanic acid=1-ethynylcyclohexyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Ethynylcyclohexanol(78-27-3).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 3, p. 416, 1955
Synthetic Communications, 18, p. 131, 1988 DOI: 10.1080/00397918808077336
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

1-Ethynyl-1-cyclohexanol(78-27-3)MS
1-Ethynyl-1-cyclohexanol(78-27-3)1HNMR
1-Ethynyl-1-cyclohexanol(78-27-3)13CNMR
1-Ethynyl-1-cyclohexanol(78-27-3)IR1
1-Ethynyl-1-cyclohexanol(78-27-3)IR2
1-Ethynyl-1-cyclohexanol(78-27-3)IR3
1-Ethynyl-1-cyclohexanol(78-27-3)IR
1-Ethynyl-1-cyclohexanol(78-27-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Ethynyl-1-cyclohexanol, 99+%(78-27-3)
[Alfa Aesar]

1-Ethynylcyclohexanol, 99%(78-27-3)
[Sigma Aldrich]

78-27-3(sigmaaldrich)
[TCI AMERICA]

1-Ethynyl-1-cyclohexanol,>98.0%(GC)(78-27-3)
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