ChemicalBook--->CAS DataBase List--->628-71-7

628-71-7

628-71-7 Structure

628-71-7 Structure
IdentificationMore
[Name]

1-Heptyne
[CAS]

628-71-7
[Synonyms]

1-HEPTYNE
HEPTYNE(1-)
N-AMYLACETYLENE
Amylacetylene
hept-1-yne
n-C5H11CequivCH
1-Heptyne99%
1-Heptyne 99%
1-Heptyne (8CI, 9CI)
n-pentylacetylene
enanthylidene
I-Heptin
1-n-Heptyne
Pentylacetylene
[EINECS(EC#)]

211-051-5
[Molecular Formula]

C7H12
[MDL Number]

MFCD00009529
[Molecular Weight]

96.17
[MOL File]

628-71-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow-green liquid
[Melting point ]

-81 °C (lit.)
[Boiling point ]

99-100 °C (lit.)
[density ]

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

93.1 mm Hg ( 37.7 °C)
[refractive index ]

n20/D 1.408(lit.)
[Fp ]

28 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[color ]

Clear colorless to light yellow-green
[Water Solubility ]

Soluble in organic solvents. Insoluble in water.
[BRN ]

1733518
[Henry's Law Constant]

1.8×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
[InChI]

1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
[InChIKey]

YVXHZKKCZYLQOP-UHFFFAOYSA-N
[SMILES]

CCCCCC#C
[LogP]

3.208 (est)
[CAS DataBase Reference]

628-71-7(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Heptyne(628-71-7)
[EPA Substance Registry System]

628-71-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Danger
[Hazard statements ]

H225
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

F,Xn
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R65:Harmful: May cause lung damage if swallowed.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S9:Keep container in a well-ventilated place .
S33:Take precautionary measures against static discharges .
[RIDADR ]

UN 3295 3/PG 2
[WGK Germany ]

3
[F ]

10-23
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29012980
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 2
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Cinmethylin-->chlorempenthrin-->2,4-DECADIENOIC ACID METHYL ESTER-->decadienal,(E,Z)-2,4-decadienal-->CIS-8,11,14-EICOSATRIENOIC ACID METHYL ESTER-->1-HEPTENE-->3-Nonyne-1,2-diol, 2-methyl-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Heptyne(628-71-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow-green liquid
[Uses]

1-Heptyne is used in the synthesis of (6Z,10E,12Z)-octadeca-6,10,12-trienoic acid and (8Z,12E,14Z)-eicosa-8,12,14-trienoic acid.
[General Description]

The hydrogenation of 1-heptyne with palladium, platinum and ruthenium supported on activated carbon as catalysts, was studied.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Heptyne(628-71-7)MS
1-Heptyne(628-71-7)1HNMR
1-Heptyne(628-71-7)13CNMR
1-Heptyne(628-71-7)IR1
1-Heptyne(628-71-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Heptyne, 99%(628-71-7)
[Alfa Aesar]

1-Heptyne, 99%(628-71-7)
[Sigma Aldrich]

628-71-7(sigmaaldrich)
[TCI AMERICA]

1-Heptyne,>97.0%(GC)(628-71-7)
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