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OCTADECANOIC ACID-1-13C

OCTADECANOIC ACID-1-13C structure

CAS No:
85541-42-0
Formula:
C18H36O2
Chemical Name:
OCTADECANOIC ACID-1-13C
Synonyms:
STEARIC-1-13CACID,99ATOM%13C;STEARIC 1-13C ACID;STEARIC ACID (1-13C);STEARIC ACID 13C;OCTADECANOIC ACID-1-13C;1-Heptadecanecarboxylic Acid-13C;n-Octadecanoic Acid-13C;Stearophanic Acid-13C
Categories:
Analytical Chemistry > Food Safety

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OCTADECANOIC ACID-1-13C Basic Attributes

Molecular Weight：

285.49

Exact Mass：

285.27500

DSSTox ID：

DTXSID70583512

Characteristics

PSA：

37.3

XLogP3：

6.33250

Density：

0.888g/cm3

Melting Point：

68-70 °C(lit.)

Boiling Point：

361 °C(lit.)

Flash Point：

113℃

Refractive Index：

1.455

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P321, P332+P313, P362

Hazard Statements：

H315

Computed Properties

Molecular Weight:285.5
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:16
Exact Mass:285.274885222
Monoisotopic Mass:285.274885222
Topological Polar Surface Area:37.3
Heavy Atom Count:20
Complexity:202
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes