CAS 201740-95-6|Benzyl alcohol-(phenyl-13C6)|(1,2,3,4,5,6-13C6)phenylmethanol|(1,2,3,4,5,6-13C6)phenylmethanol|苄醇（苯基-13C6）|苄...

Molecular Formula

C₇H₈O

Molecular Mass

114.09374903

Exact Mass

114.0776439

InChI

InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i1+1,2+1,3+1,4+1,5+1,7+1

InChIKey

WVDDGKGOMKODPV-ZXJNGCBISA-N

Canonic Smiles

OC[13c]1[13cH][13cH][13cH][13cH][13cH]1

Isomeric Smiles

[13cH]1[13cH][13cH][13c]([13cH][13cH]1)CO

JChem

Acid pKa

15.019332

H Acceptors

H Donor

LogD (pH = 5.5)

1.205896

LogD (pH = 7.4)

1.205896

Log P

1.205896

Molar Refractivity

32.8739

Polarizability

12.794039

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

Benzyl alcohol-(phenyl-13C6)苄醇（苯基-13C6）苄醇-环-13C6Benzyl alcohol-(phenyl-13C6)

IUPAC name

(1,2,3,4,5,6-¹³C₆)phenylmethanol

IUPAC Traditional name

(1,2,3,4,5,6-¹³C₆)phenylmethanol

CAS Number

PubChem SID

MDL Number

PubChem CID

Product Information

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 114.03 by atom % calculation

Linear Formula

13C6H5CH2OH

Safety Information

German water hazard class

European Hazard Symbols

Harmful (Xn)

GHS Signal Word

Warning

Safety Statements

Risk Statements

20/22

MSDS Link

Download link

GHS Pictograms

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

GHS Hazard statements

H302+H332

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

586927

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.

No Data Available

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Commercial Catalog

Academic Data

Synonyms

Benzyl alcohol-(phenyl-13C6)苄醇（苯基-13C6）苄醇-环-13C6Benzyl alcohol-(phenyl-13C6)

IUPAC name

(1,2,3,4,5,6-¹³C₆)phenylmethanol

IUPAC Traditional name

(1,2,3,4,5,6-¹³C₆)phenylmethanol

CAS Number

PubChem SID

MDL Number

PubChem CID

Product Information

Isotopic Purity

99 atom % 13C

Mol. Weight

mol wt 114.03 by atom % calculation

Linear Formula

13C6H5CH2OH

Safety Information

German water hazard class

European Hazard Symbols

Harmful (Xn)

GHS Signal Word

Warning

Safety Statements

Risk Statements

20/22

MSDS Link

Download link

GHS Pictograms

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

GHS Hazard statements

H302+H332

Physical Property

Sigma Aldrich

586927

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.

No Data Available

Click here to submit data

Molecule

ID:134658