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Phenylacetaldoxime

HCID 99748
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7028-48-0
Standard SMILES
ON=CCc1ccccc1
InChIKey
CXISHLWVCSLKOJ-UHFFFAOYSA-N
Molecular formula
C8H9NO
Average molar mass
135.16 g/mol
Monoisotopic mass
135.06841391

Overview

Phenylacetaldehyde oxime is an aldoxime resulting from the formal condensation of the aldehyde moiety of phenylacetaldehyde with hydroxylamine. It is functionally related to a phenylacetaldehyde.

Names & identifiers

Preferred name
Phenylacetaldoxime
IUPAC
N-(2-phenylethylidene)hydroxylamine
English name
phenylacetaldehyde oxime
Molecular formula
C8H9NO
Molecular weight
135.16

Names & synonyms

Benzeneacetaldehyde, oximePhenylacetaldoximePhenylacetaldehyde oxime7028-48-0CHEBI:47791DTXSID4074352RefChem:861695DTXCID8046666230-309-8phenyl acetaldehyde oximeEINECS 230-309-8NSC 203259
Show more names
(Z)-phenylacetaldoxime2-Phenylethanone oximen-(2-Phenylethylidene)hydroxylamine
benzylnitroneBRN 2040645phenylethanal oximeanti-phenylacetaldoximeBenzeneacetaldehyde oximephenylacetal-dehyde oxime4-07-00-00665 (Beilstein Handbook Reference)SCHEMBL265957

Database identifiers

CAS
7028-48-0
PubChem CID
99748
DTXSID
DTXSID4074352
ChEBI
CHEBI:47791
EC Number
230-309-8

Properties

Computed structural properties

XLogP
2
Topological polar surface area
32.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
106

Physicochemical properties

Cosmetics Ingredients Functions
PERFUMING
LogP
0.809 · 0.809 (est)
EWG's Food Scores
1 · 1
EPA Substance Registry System
Benzeneacetaldehyde, oxime (7028-48-0)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Benzeneacetaldehyde, oxime

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Other Safety InformationIMAP assessments - Benzeneacetaldehyde, oxime: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetaldehyde, oxime: INACTIVE

Upstream & downstream products

Downstream products

5-Benzyl-1H-tetrazole

Suppliers10 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
常州市宣明医药科技有限公司+86-519-85525359 +86-15995072465 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
BOC Sciences[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]

Related reactions

9 records
New reaction record
HRID 65488 reaction equation
HRID 65488As reactantuspto-grants-1986_09
HRID 850852 reaction equation
HRID 850852As reactantuspto-grants-2000_01
HRID 1135170 reaction equation
HRID 1135170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1217490 reaction equation
HRID 1217490As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1290456 reaction equation
HRID 1290456As reactantuspto-grants-1998_05
HRID 1604849 reaction equation
HRID 1604849As reactantuspto-grants-1999_11
HRID 1619737 reaction equation
HRID 1619737As productuspto-grants-2014_07
HRID 1619738 reaction equation
HRID 1619738As reactantuspto-grants-2014_07
Page 1 of 2

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Additional notes

DefinitionChEBI: Phenylacetaldehyde oxime is an aldoxime resulting from the formal condensation of the aldehyde moiety of phenylacetaldehyde with hydroxylamine. It is functionally related to a phenylacetaldehyde.