Bisphenol A-d16

Basic Information

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CAS Number

96210-87-6

Molecular Formula

C15D16O2

Molecular Weight

244.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

157-159 °C

Boiling Point

220 °C/4 mmHg

Density

1.224

Flash Point

192.4 °C

SMILES

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CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D/hD2

InChIKey

IISBACLAFKSPIT-MAJJRYNQSA-N

LogP

3.423700000000001

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

209

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Phen-2,3,5,6-d4-ol-d,4,4'-[1-(methyl-d3)ethylidene-2,2,2-d3]bis-
1,2,4,5-tetradeuterio-3-deuteriooxy-6-[1,1,1,3,3,3-hexadeuterio-2-(2,3,5,6-tetradeuterio-4-deuteriooxyphenyl)propan-2-yl]benzene
Bisphenol A-d16
Bisphenol-A-d16
Bisphenol-A-d161000µg
Deuterated bisphenol A
2,2-·Bis(4-·hydroxyphenyl)·propane-D16
4,4·-Isopropylidenediphenol-D16
4,4′-[1-(Methyl-d3)ethylidene-2,2,2-d3]bis[phen-2,3,5,6-d4-ol-d] (ACI)
96210-87-6
Bisphenol A D16
SCHEMBL1332531
NS00114254
Bisphenol A-d16, 98 atom % D
2,2- BIS(4- HYDROXYPHENYL) PROPANE-D16
CID 16212886
HY-18260S
bisphenol-a-d16
CS-0129130
IISBACLAFKSPIT-MAJJRYNQSA-N
DB-297079
D99694
AKOS015915887
1-[(?H)oxy]-4-(2-{4-[(?H)oxy](2,3,5,6-?H?)phenyl}(1,1,1,3,3,3-?H?)propan-2-yl)(?H?)benzene
1-[((2)H)OXY]-4-(2-{4-[((2)H)OXY](2,3,5,6-(2)H?)PHENYL}(1,1,1,3,3,3-(2)H?)PROPAN-2-YL)((2)H?)BENZENE
DTXSID40583721

MDL Number

MFCD00143777

FAQ

What are the physical and chemical properties of Bisphenol A-d16 (CAS: 96210-87-6)?

Bisphenol A-d16 (CAS: 96210-87-6) is a polymerizable bisphenol derivative. It has a molecular weight of approximately 290.3 and exhibits good solubility in organic solvents. Chemically, it is highly reactive under certain conditions, particularly in the presence of acid catalysts. It crystallizes as white crystals and is stable under normal laboratory conditions.

How is Bisphenol A-d16 (CAS: 96210-87-6) typically synthesized?

Bisphenol A-d16 (CAS: 96210-87-6) is synthesized by the condensation of diphenol and 1,16-hexadecanediol in the presence of a strong acid catalyst. The synthesis typically yields a product with high purity and selectivity, although the exact yield may vary depending on the reaction conditions and purification methods.

What industries use Bisphenol A-d16 (CAS: 96210-87-6)?

Bisphenol A-d16 (CAS: 96210-87-6) is primarily used in the production of advanced polymers and composites for aerospace and automotive industries. It is also employed in the development of high-performance adhesives and sealants, as well as in the manufacturing of electronic components and sensors.

What precautions should be taken when handling Bisphenol A-d16 (CAS: 96210-87-6)?

When handling Bisphenol A-d16 (CAS: 96210-87-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the work area is well-ventilated, and use a fume hood during operations. In case of spillage, immediately clean up using suitable absorbent materials and refer to the safety data sheet (SDS) for detailed instructions.