ANISALDEHYDE-[7-13C]

CAS：95537-93-2
MW:137.142
MF：C8H8O2

ANISALDEHYDE-[7-13C] is a metabolic product of the odoriferous fungus Lentinus lepidus. Anisaldehyde is used in perfumery and toilet soaps. ANISALDEHYDE-[7-13C]Supplier View more+

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: ANISALDEHYDE-[7-13C]

1.2 Synonyms: 4-Anisaldehyde-13C; 4-Methoxy(formyl-13C)benzaldehyde; 4-Methoxybenzaldehyde; 4-Methoxybenzaldehyde-13C; 4-METHOXYBENZALDEHYDE-α-13C,α-D1; ANISALDEHYDE-[7-13C]; Anisaldehyde-13C; Anisic Aldehyde-13C; Aubepine-13C; Benzaldehyde-formyl-13C, 4-methoxy-; Crategine-13C; NSC 5590-13C; α-[13C]-4-methoxybenzaldehyde;

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1.3 CAS No.: 95537-93-2

1.4 CID: 46780458

1.5 Molecular Formula: C8H8O2

1.6 Inchi: InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3/i6+1

1.7 InChkey: ZRSNZINYAWTAHE-PTQBSOBMSA-N

1.8 Canonical Smiles: COC1=CC=C(C=C1)C=O

1.9 Isomers Smiles: COC1=CC=C(C=C1)[13CH]=O

2. Properties

2.1 Chemical Properties: ANISALDEHYDE-[7-13C] is Colourless Oil

2.2 StorageTemp: -20°C Freezer

3. Use and Manufacturing

3.1 Description: ANISALDEHYDE-[7-13C] is Colourless Oil

3.2 Usage: ANISALDEHYDE-[7-13C] is a metabolic product of the odoriferous fungus Lentinus lepidus. Anisaldehyde is used in perfumery and toilet soaps. ANISALDEHYDE-[7-13C]Supplier

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Synthesis Route

95537-93-2Total: 8 Synthesis Route

696-62-8 175 Suppliers

95537-93-2 3 Suppliers

104-92-7 186 Suppliers

95537-93-2 3 Suppliers

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6. Precursor and Product

precursor:

69838-89-7

32488-43-0

100-66-3

1333245-00-3

76104-36-4

696-62-8

93627-95-3

104-92-7

7. Computed Properties

Molecular Weight：137.142g/mol
Molecular Formula：C₈H₈O₂
Compound Is Canonicalized：True
XLogP3-AA：137.055784329
Monoisotopic Mass：137.055784329
Complexity：104
Rotatable Bond Count：2
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：10
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：1
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASgmAIyBoAABACIAihSgAACCAAkIAAIiAEGCMgMJjKENRqAMSAkwBEIqYeIzADOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

8.Other Information

Chemical Properties: Colourless Oil

Uses: Labelled Anisaldehyde. Anisaldehyde is a metabolic product of the odoriferous fungus Lentinus lepidus. Anisaldehyde is used in perfumery and toilet soaps.

9. Toltal 3 Suppliers View more

Toronto Research Chemicals

Tel: Update Time:2019/11/25

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Medical Isotopes

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Medical Isotopes, Inc.

Tel: Update Time:2022/01/01

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10. Realated Product Infomation