CAS 263261-65-0|4-{2-[4-hydroxy(1,2,3,4,5,6-13C6)phenyl]propan-2-yl}(1,2,3,4,5,6-13C6)phenol|2,2-双(4-羟基苯基-13C6)丙烷|4,4′-异亚丙...

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/i3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1

IISBACLAFKSPIT-ZGFLEIAISA-N

CC([13c]1[13cH][13cH][13c]([13cH][13cH]1)O)([13c]1[13cH][13cH][13c]([13cH][13cH]1)O)C

CC(C)([13c]1[13cH][13cH][13c]([13cH][13cH]1)O)[13c]1[13cH][13cH][13c]([13cH][13cH]1)O

Acid pKa

9.779356

H Acceptors

H Donor

LogD (pH = 5.5)

4.044953

LogD (pH = 7.4)

4.0431747

Log P

4.0449753

Molar Refractivity

79.2751

Polarizability

26.588566

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

4-{2-[4-hydroxy(1,2,3,4,5,6-¹³C₆)phenyl]propan-2-yl}(1,2,3,4,5,6-¹³C₆)phenol

2,2-双(4-羟基苯基-13C6)丙烷4,4′-异亚丙基联苯酚-13C12Bisphenol A-(rings-13C12)4,4′-Isopropylidenediphenol-13C12双酚 A (环-13C12)2,2-Bis(4-hydroxyphenyl-13C6)propane4,4'-Isopropylidenediphenol-13C12Bisphenol A-13C124,4'-(1-Methylethylidene)bisphenol-13C122,2-Bis(4-hydroxyphenyl)propane-13C12(4,4'-Dihydroxydiphenyl)dimethylmethane-13C12

4-{2-[4-hydroxy(1,2,3,4,5,6-¹³C₆)phenyl]propan-2-yl}(1,2,3,4,5,6-¹³C₆)phenol

Linear Formula

(CH3)2C(13C6H4OH)2

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 240.08 by atom % calculation

Purity

98% (CP)

Certificate of Analysis

Download link

H317-H318-H335-H361

Harmful (Xn)

Click here to submit data

720186

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

B519498

Labelled Bisphenol A (B519495). A monomer used for policarbonate and epoxy resins; exhibits estrogenic activity.

• Krishnan, A.V., et al.: Endocrinology, 132, 2279 (1993)

• Petersen, H., et al.: Eur. Food Res. Technol., 216, 355 (1993)

• Steinmetz, R., et al.: Trends Endocrinol. Metab., 9, 124 (1993)

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

4-{2-[4-hydroxy(1,2,3,4,5,6-¹³C₆)phenyl]propan-2-yl}(1,2,3,4,5,6-¹³C₆)phenol

Synonyms

IUPAC name

4-{2-[4-hydroxy(1,2,3,4,5,6-¹³C₆)phenyl]propan-2-yl}(1,2,3,4,5,6-¹³C₆)phenol

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Molecule Details

720186

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

TRC

B519498

Labelled Bisphenol A (B519495). A monomer used for policarbonate and epoxy resins; exhibits estrogenic activity.

References

PubChem Literature

From Data Sources

• Krishnan, A.V., et al.: Endocrinology, 132, 2279 (1993)

• Petersen, H., et al.: Eur. Food Res. Technol., 216, 355 (1993)

• Steinmetz, R., et al.: Trends Endocrinol. Metab., 9, 124 (1993)

Bioactivity

PubChem BioAssay

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

German water hazard class

GHS Precautionary statements

P261-P280-P305+P351+P338

MSDS Link

Download link

Risk Statements

37-41-43-62

GHS Signal Word

Danger

Safety Statements

26-36/37/39-46

Storage Condition

Refrigerator

GHS Hazard statements

European Hazard Symbols

Molecule

ID:136258