Oct-1-yne

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Names

[ CAS No. ]:
629-05-0

[ Name ]:
Oct-1-yne

[Synonym ]:
Octyne-1
EINECS 211-069-3
MFCD00009546
oct-1-yne
caprylidene
1-SiM alkyne
1-0ctin
1-Octyne
Oct-1-in
1-0ctyne
anhydrous 1-octyne

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
126.0±3.0 °C at 760 mmHg

[ Melting Point ]:
-80 °C

[ Molecular Formula ]:
C₈H₁₄

[ Molecular Weight ]:
110.197

[ Flash Point ]:
17.8±0.0 °C

[ Exact Mass ]:
110.109550

[ LogP ]:
3.65

[ Vapour Pressure ]:
14.4±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.425

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RI2655000

CHEMICAL NAME :: 1-Octyne

CAS REGISTRY NUMBER :: 629-05-0

BEILSTEIN REFERENCE NO. :: 1734494

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H14

MOLECULAR WEIGHT :: 110.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Unscheduled DNA synthesis

TEST SYSTEM :: Rodent - hamster Liver

DOSE/DURATION :: 100 umol/L

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 6,1201,1985

Safety Information

[ Hazard Codes ]:
F:Flammable;Xn:Harmful;

[ Risk Phrases ]:
R11;R65

[ Safety Phrases ]:
S16-S62

[ RIDADR ]:
UN 3295 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
RI2655000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
29012980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(+/-)-1,2-dibromooctane
(Z)-1-bromo-oct-1-ene
2-Bromo-1-octene
3-acetoxy-3,4,4-trimethyl-pentan-2-one
1,2-Dichlorooctane
2,2-Dichlorooctane
octene
1,1-dibromooct-1-ene
1-chlorooct-1-yne

DownStream

6-(2-oct-1-ynylphenyl)hex-5-enoic acid
trimethyl(oct-1-ynyl)stannane
diethyl 2-[4-(2-oct-1-ynylphenyl)but-3-ynyl]propanedioate
1-methoxyethenylbenzene
(1,1,2,2-TETRAFLUOROETHOXY)BENZENE
4-Octylbenzaldehyde
4-Octylbenzoic acid
Heptafluorobutyric acid
(E)-1-(perfluorobutyl)-1-octene
(Z)-2-nonen-1-ol

Customs

[ HS Code ]: 29012980