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1-Octadecyne

1-Octadecyne structure

CAS No:
629-89-0
Formula:
C18H34
Chemical Name:
1-Octadecyne
Synonyms:
1-Octadecyne
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Octadecyne Basic Attributes

Molecular Weight：

250.463

Exact Mass：

250.46

EC Number：

211-114-7

UNII：

8U6AS2VE7S

DSSTox ID：

DTXSID90212079

Characteristics

PSA：

XLogP3：

8.97

Density：

0.8±0.1 g/cm3

Melting Point：

22.5 °C

Boiling Point：

313 °C

Flash Point：

148.5±2.0 °C

Refractive Index：

1.451

Safety Information

hazard class code：

36/37/38

safety instructions：

S26-S36/37/39

Precautionary statement(s)：

P301+P310, P331, P405, P501

Hazard Statements：

H304

GHS Classification：

|Danger|H304 (50%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]|P261, P264, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:250.5
XLogP3:8.9
Rotatable Bond Count:14
Exact Mass:250.266051085
Monoisotopic Mass:250.266051085
Heavy Atom Count:18
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes