CAS 1173018-56-8|丙烯醇-d6|Allyl alcohol-d6|(2H5)prop-2-en-1-(2H)ol|(2H5)prop-2-en-1-(2H)ol

Molecular Formula

C₃H₆O

Molecular Mass

58.07914

Exact Mass

58.04186481

InChI

InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

InChIKey

XXROGKLTLUQVRX-UHFFFAOYSA-N

Canonic Smiles

OCC=C

Isomeric Smiles

C=CCO

JChem

Acid pKa

16.164537

H Acceptors

H Donor

LogD (pH = 5.5)

0.21267276

LogD (pH = 7.4)

0.21267276

Log P

0.21267276

Molar Refractivity

17.424

Polarizability

6.705122

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

丙烯醇-d6Allyl alcohol-d6

IUPAC name

(²H₅)prop-2-en-1-(²H)ol

IUPAC Traditional name

(²H₅)prop-2-en-1-(²H)ol

CAS Number

MDL Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

98 atom % D

Linear Formula

CD2=CDCD2OD

Mol. Weight

mol wt 64.00 by atom % calculation

Physical Property

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

H225-H301-H311-H315-H319-H331-H335-H400

UN 1098 6.1/PG 1

36/37/39-38-45-61

10-23/24/25-36/37/38-50

P210-P261-P273-P280-P301+P310-P305+P351+P338

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Sigma Aldrich

614629

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

丙烯醇-d6Allyl alcohol-d6

IUPAC name

(²H₅)prop-2-en-1-(²H)ol

IUPAC Traditional name

(²H₅)prop-2-en-1-(²H)ol

CAS Number

MDL Number

PubChem CID

PubChem SID

614629

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

Product Information

Isotopic Purity

98 atom % D

Linear Formula

CD2=CDCD2OD

Mol. Weight

mol wt 64.00 by atom % calculation

Physical Property

Safety Information

Nature polluting (N)

Molecule

ID:135339