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HEXADECANOIC-2,2-D2 ACID

HEXADECANOIC-2,2-D2 ACID structure

CAS No:
62689-96-7
Formula:
C16H30D2O2
Chemical Name:
HEXADECANOIC-2,2-D2 ACID
Synonyms:
PALMITIC ACID (2,2-D2);PALMITIC-2 2-D2 ACID;2,2-DIDEUTEROHEXADECANOIC ACID;HEXADECANOIC-2,2-D2 ACID;PALMITIC-2,2-D2 ACID, 98 ATOM % D;Hexadecanoic Acid-2,2-D2
Categories:
Analytical Chemistry > Food Safety

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HEXADECANOIC-2,2-D2 ACID Basic Attributes

Molecular Weight：

258.44

Exact Mass：

258.252777

DSSTox ID：

DTXSID50493908

Characteristics

PSA：

37.3

XLogP3：

7.15

Density：

0.9±0.1 g/cm3

Melting Point：

61-62.5 °C(lit.)

Boiling Point：

271.5 °C100 mm Hg(lit.)

Flash Point：

154.1±12.5 °C

Refractive Index：

1.454

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

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:258.44
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:14
Exact Mass:258.252783751
Monoisotopic Mass:258.252783751
Topological Polar Surface Area:37.3
Heavy Atom Count:18
Complexity:178
Isotope Atom Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes