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DECANOIC ACID-1,2-13C2

DECANOIC ACID-1,2-13C2 structure

CAS No:
287111-30-2
Formula:
C10H20O2
Chemical Name:
DECANOIC ACID-1,2-13C2
Synonyms:
DECANOIC ACID-1,2-13C2;Capricacid-1,2-13C2;1-Decanoic Acid-13C2;1-Nonanecarboxylic Acid-13C2;Capric Acid-13C2;Caprinic Acid-13C2;Caprynic Acid-13C2;Decoic Acid-13C2
Categories:
Analytical Chemistry > Food Safety

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DECANOIC ACID-1,2-13C2 Basic Attributes

Molecular Weight：

174.28

Exact Mass：

174.15300

DSSTox ID：

DTXSID00584355

Characteristics

PSA：

37.3

XLogP3：

3.21170

Density：

0.903 g/mL at 25 °C

Melting Point：

30-32 °C(lit.)

Boiling Point：

268-270 °C(lit.)

Flash Point：

110 °C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

DECANOIC ACID-1,2-13C2 Use and Manufacturing

Labelled Decanoic Acid (D212525). Decanoic acid is used in manufacturing of esters for artificial fruit flavors and perfumes.

Computed Properties

Molecular Weight:174.25
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:174.153039547
Monoisotopic Mass:174.153039547
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:110
Isotope Atom Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes