Benzyl butyl phthalate

Modify Date: 2024-01-03 12:03:22

Benzyl butyl phthalate structure	Common Name	Benzyl butyl phthalate
	CAS Number	85-68-7	Molecular Weight	312.360
	Density	1.1±0.1 g/cm3	Boiling Point	408.3±20.0 °C at 760 mmHg
	Molecular Formula	C₁₉H₂₀O₄	Melting Point	<-35ºC
	MSDS	Chinese USA	Flash Point	198.3±20.2 °C
	Symbol	GHS08, GHS09	Signal Word	Danger

Use of Benzyl butyl phthalate

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)[1][2][3].

Name	Benzyl butyl phthalate
Synonym	More Synonyms

Description	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)[1][2][3].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Immunology/Inflammation >> Aryl Hydrocarbon Receptor
In Vitro	Benzyl butyl phthalate (BBP) is commonly added during the manufacturing of plastics to increase flexibility and elasticity[1]. Benzyl butyl phthalate induces histone modifications in S1PR3 in side population (SP) cells, but not in non-SP cells[3].
References	[1]. Sun G, et al. Developmental toxicity and cardiac effects of butyl benzyl phthalate in zebrafish embryos. Aquat Toxicol. 2017;192:165-170. [2]. 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. [3]. Wang YC, et al. Benzyl butyl phthalate promotes breast cancer stem cell expansion via SPHK1/S1P/S1PR3 signaling. Oncotarget. 2016;7(20):29563-29576.

Density	1.1±0.1 g/cm3
Boiling Point	408.3±20.0 °C at 760 mmHg
Melting Point	<-35ºC
Molecular Formula	C₁₉H₂₀O₄
Molecular Weight	312.360
Flash Point	198.3±20.2 °C
Exact Mass	312.136169
PSA	52.60000
LogP	5.00
Vapour density	10.8 (vs air)
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.553
Water Solubility	0.000269 g/100 mL
Freezing Point	-35℃

Benzyl butyl phthalate MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TH9990000

CHEMICAL NAME :: Phthalic acid, benzyl butyl ester

CAS REGISTRY NUMBER :: 85-68-7

BEILSTEIN REFERENCE NO. :: 2062204

LAST UPDATED :: 199803

DATA ITEMS CITED :: 45

MOLECULAR FORMULA :: C19-H20-O4

MOLECULAR WEIGHT :: 312.39

WISWESSER LINE NOTATION :: QVR BVO1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2330 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4170 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3160 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 13700 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 13750 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - withdrawal Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 56 gm/kg/4W-C

TOXIC EFFECTS :: Behavioral - food intake (animal) Blood - hemorrhage Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 68250 mg/kg/91D-C

TOXIC EFFECTS :: Liver - changes in liver weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 38402 mg/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2100 mg/m3/6H/4W-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 789 mg/m3/6H/13W-I

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 21 gm/kg/14D-C

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in bladder weight Related to Chronic Data - changes in prostate weight Related to Chronic Data - changes in testicular weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 433 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Blood - lymphoma, including Hodgkin's disease

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 437 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 364 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 21 gm/kg

SEX/DURATION :: male 14 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 16400 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Maternal Effects - other effects Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 16400 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - other effects to embryo Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 4900 mg/kg

SEX/DURATION :: female 1-7 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 154 gm/kg

SEX/DURATION :: male 10 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 9100 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 23300 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects

MUTATION DATA

TYPE OF TEST :: Morphological transformation

TEST SYSTEM :: Rodent - hamster Embryo

DOSE/DURATION :: 2 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 356,85,1996 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 29,193,1982 IARC Cancer REIVEW:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 29,193,1982 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 11,1,1992 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993 OEL-SWEDEN:TWA 3 mg/m3;STEL 5 mg/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 5 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80249 No. of Facilities: 9594 (estimated) No. of Industries: 93 No. of Occupations: 74 No. of Employees: 66289 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80249 No. of Facilities: 27154 (estimated) No. of Industries: 158 No. of Occupations: 119 No. of Employees: 331841 (estimated) No. of Female Employees: 59743 (estimated)

Symbol	GHS08, GHS09
Signal Word	Danger
Hazard Statements	H360Df-H410
Precautionary Statements	P201-P273-P308 + P313-P501
Personal Protective Equipment	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	T:Toxic;N:Dangerousfortheenvironment;
Risk Phrases	R50/53;R61;R62
Safety Phrases	S53-S45-S60-S61
RIDADR	UN 3082 9/PG 3
WGK Germany	2
RTECS	TH9990000
Packaging Group	III
Hazard Class	9
HS Code	29173400

Monobutyl Phthalate

CAS#:131-70-4

Benzyl bromide

CAS#:100-39-0

~90%

Benzyl butyl ph...

CAS#:85-68-7

Literature: Cheng, Kur-Ta; Rajasekhar, Dodda; Huang, Sheng-Tung; Hsu, Feng-Lin; Subbaraju, Gottumukkala V. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 5 p. 1190 - 1192

Phthalic anhydride

CAS#:85-44-9

Benzyl butyl ph...

CAS#:85-68-7

Literature: Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 42, # 5 p. 1190 - 1192

Monobutyl Phthalate

CAS#:131-70-4

Benzyl chloride

CAS#:100-44-7

Benzyl butyl ph...

CAS#:85-68-7

Literature: US1554032 ;

1,2-Benzenedica...

CAS#:84-74-2

Benzyl alcohol

CAS#:100-51-6

Benzyl butyl ph...

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Literature: US1984284 , ;

Precursor 6
CAS#:131-70-4 Monobutyl Phthalate CAS#:100-39-0 Benzyl bromide CAS#:85-44-9 Phthalic anhydride CAS#:100-44-7 Benzyl chloride
CAS#:84-74-2 1,2-Benzenedica... CAS#:100-51-6 Benzyl alcohol
DownStream 1
CAS#:18750-05-5 2-Ethylhexyl be...

HS Code	2917349000
Summary	2917349000 other esters of orthophthalic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Feasibility of ultra-high performance liquid and gas chromatography coupled to mass spectrometry for accurate determination of primary and secondary phthalate metabolites in urine samples.

Anal. Chim. Acta 853 , 625-36, (2014)

Phthalates (PAEs) are ubiquitous toxic chemical compounds. During the last few years, some phthalate metabolites (MPAEs) have been proposed as appropriate biomarkers in human urine samples to determin...

Analysis of phthalates in milk and milk products by liquid chromatography coupled to quadrupole Orbitrap high-resolution mass spectrometry.

J. Chromatogr. A. 1362 , 110-8, (2014)

A new analytical method was developed and validated for simultaneous analysis of 27 phthalates in milk and milk products. Response surface methodology was employed to optimize a quick, easy, cheap, ef...

Rapid screening and identification of multi-class substances of very high concern in textiles using liquid chromatography-hybrid linear ion trap orbitrap mass spectrometry.

J. Chromatogr. A. 1386 , 22-30, (2015)

A new analytical method was established and validated for the analysis of 19 substances of very high concern (SVHCs) in textiles, including phthalic acid esters (PAEs), organotins (OTs), perfluorochem...

1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester

UNII-YPC4PJX59M

butyl phenylmethyl 1,2-benzenedicarboxylate

benzyl butyl benzene-1,2-dicarboxylate

MFCD00009440

Butyl Benzyl Phthalate

EINECS 201-622-7

Phthalic acid, benzyl butyl ester

benzyl n-butyl phthalate

2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate

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