BENZYL VIOLET

Details

Stereochemistry	ACHIRAL
Molecular Formula	C39H41N3O6S2.Na
Molecular Weight	734.879
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C2=CC=C(C=C2)C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](CC)CC5=CC=CC(=C5)S([O-])(=O)=O

InChI

InChIKey=AXMCIYLNKNGNOT-UHFFFAOYSA-N

InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C39H40N3O6S2
Molecular Weight	710.881
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/29269605 | https://www.ncbi.nlm.nih.gov/pubmed/4852415

BENZYL VIOLET had long been used as a food color in some countries including Japan. It had been classified as "possibly carcinogenic to humans" compounds by the International Agency for Research on Cancer (IARC) and by the Japan Society for Occupational Health. It was deleted from the food additives list in Japan in December 1972.

Approval Year

PubMed

Title	Date	PubMed
Development of a method for monitoring personal exposure to benzyl violet 4B and direct blue 15 in workplace air.	2018-03-27	29269605
Mutagenicity of arylmethane dyes in Salmonella.	1981-05	6165887
Metabolism of triphenylmethane colours II. Absorption, excretion and distribution of Benzyl Violet 4B (FD and C Violet No. 1) in rats.	1977-06	888152
Induction of mammary gland and skin tumours in female rats by the feeding of benzyl violet 4B.	1974-09	4852415

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:41:04 GMT 2025` Edited by `admin` on `Mon Mar 31 18:41:04 GMT 2025`
Record UNII	550X5X78WK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACID VIOLET 6B

Preferred Name

English

BENZYL VIOLET

Common Name

English

BENZENEMETHANAMINIUM, N-(4-((4-(DIMETHYLAMINO)PHENYL)(4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-3-SULFO-, INNER SALT, SODIUM SALT (1:1)

Common Name

English

(4-((4-(DIMETHYLAMINO)PHENYL)(4-(ETHYL(3-SULPHONATOBENZYL)AMINO)PHENYL)METHYLENE)CYCLOHEXA-2,5-DIEN- 1-YLIDENE)(ETHYL)(3-SULPHONATOBENZYL)AMMONIUM, SODIUM SALT

Common Name

English

BENZYL VIOLET [II]

Common Name

English

CI 42640

Common Name

English

C.I. ACID VIOLET 49

Common Name

English

(4-((4-(DIMETHYLAMINO)PHENYL)(4-(ETHYL(3-SULPHONATOBENZYL)AMINO)PHENYL)METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE)(ETHYL)(3-SULPHONATOBENZYL)AMMONIUM, SODIUM SALT

Common Name

English

FD&C VIOLET NO. 1 (DELISTED)

Common Name

English

C.I. 42640

Common Name

English

ACID VIOLET 6B [HSDB]

Common Name

English

BENZENEMETHANAMINIUM, N-(4-((4-(DIMETHYLAMINO)PHENYL)(4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-3-SULFO-, HYDROXIDE, INNER SALT, SODIUM SALT

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C461