CAS 93951-88-3|Benzyl butyl phthalate-d4

Introduction：Basic information about CAS 93951-88-3|Benzyl butyl phthalate-d4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Benzyl butyl phthalate-d4 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Benzyl butyl phthalate-d4
CAS Number	93951-88-3	Molecular Weight	316.38400
Density	1.114 g/mL at 25ºC	Boiling Point	/
Molecular Formula	C₁₉H₁₆D₄O₄	Melting Point	/
MSDS	/	Flash Point	113ºC
Symbol	GHS08, GHS09	Signal Word	Danger

Names

Name	2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Synonym	More Synonyms

Benzyl butyl phthalate-d4 BiologicalActivity

Description	Benzyl butyl phthalate-d4 is the deuterium labeled Benzyl butyl phthalate[1]. Benzyl butyl phthalate, a member of phthalic acid esters (PAEs), can trigger the migration and invasion of hemangioma (HA) cells via upregulation of Zeb1. Benzyl butyl phthalate activates aryl hydrocarbon receptor (AhR) in breast cancer cells to stimulate SPHK1/S1P/S1PR3 signaling and enhances formation of metastasis-initiating breast cancer stem cells (BCSCs)[2][3][4].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Immunology/Inflammation >>Aryl Hydrocarbon Receptor
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Sun G, et al. Developmental toxicity and cardiac effects of butyl benzyl phthalate in zebrafish embryos. Aquat Toxicol. 2017;192:165-170. [3]. Cui S, et al. Benzyl butyl phthalate (BBP) triggers the migration and invasion of hemangioma cells via upregulation of Zeb1. Toxicol In Vitro. 2019;60:323-329. [4]. Wang YC, et al. Benzyl butyl phthalate promotes breast cancer stem cell expansion via SPHK1/S1P/S1PR3 signaling. Oncotarget. 2016;7(20):29563-29576.

Chemical & Physical Properties

Density	1.114 g/mL at 25ºC
Molecular Formula	C₁₉H₁₆D₄O₄
Molecular Weight	316.38400
Flash Point	113ºC
Exact Mass	316.16100
PSA	52.60000
LogP	4.00050
InChIKey	IRIAEXORFWYRCZ-CXRURWBMSA-N
SMILES	CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1
Storage condition	2-8°C

Safety Information

Symbol	GHS08, GHS09
Signal Word	Danger
Hazard Statements	H360Df-H410
Precautionary Statements	P201-P273-P308 + P313-P501
Hazard Codes	T: Toxic;N: Dangerous for the environment;
Risk Phrases	R61
Safety Phrases	53-45-60-61
RIDADR	UN 3082 9/PG 3

Synonyms

BBP-d4

Spatozoate-d4

Diacizer D 160-d4

Benzyl butyl phthalate-3,4,5,6-d4

Unimoll BB-d4

Santicizer 160-d4

Santicizer C 160-d4

Palatinol BB-d4

Santicizer S 106-d4

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