Completing data — usually done within a minute
Basic information
- Standard SMILES
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1- InChIKey
IRIAEXORFWYRCZ-UHFFFAOYSA-N- Molecular formula
- C19H20O4
- Average molar mass
- 312.365 g/mol
- Monoisotopic mass
- 312.13615912
Names & identifiers
- Preferred name
- Benzyl butyl phthalate
- IUPAC
- Benzyl butyl benzene-1,2-dicarboxylate
- English name
- Benzyl butyl phthalate
- Molecular formula
- C19H20O4
- Molecular weight
- 312.36
Names & synonyms
BBPBUTYL BENZYL PHTHALATEBenzyl butyl esterPHTHALIC ACID, BENZYLBUTYL ESTERCW17mZFMSF01SicolSicol 160NCI-C54375
Database identifiers
- CAS
85-68-7- PubChem CID
- 2347
- DTXSID
DTXSID3020205- ChEMBL
CHEMBL1450327- ChEBI
CHEBI:34595- UNII
- YPC4PJX59M
- EC Number
- 201-622-7
- Nikkaji
- J45.539C
Properties
Physicochemical properties
- Melting point
- -35 °C · <-35°C
- Boiling point
- 370 °C · 370°C
- Density
- 1.1 g/mL · 1.1 g/mL at 25 °C(lit.)
- vapor density
- 10.8 · 10.8 (vs air)
- Pour Point
- -45 · -45
- vapor pressure
- 0.16 mm · 0.16 mm Hg ( 150 °C)
- refractive index
- 20 · n20/D 1.54(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- room temp
- solubility
- 100 mg/mL · DMSO: 100 mg/mL (320.14 mM)
- form
- Oily Liquid
- Specific Gravity
- 1.1 · 1.1
- color
- Clear
- Viscosity
- 42 cs · 42cs (25C)
- biological source
- rabbit
- Water Solubility
- 0.000269 g/100 · 0.000269 g/100 mL
- FreezingPoint
- -35 ℃ · -35℃
- BRN
- 2062204 · 2062204
- Henry's Law Constant
- (x 10-6 atmm3/mol): 1.3 at 25 °C (calculated, Howard, 1989)
- Major Application
- cleaning productscosmeticsenvironmentalfood and beveragespersonal care
- Cosmetics Ingredients Functions
- PLASTICISER
- Cosmetic Ingredient Review (CIR)
- Benzyl butyl phthalate (85-68-7)
- InChI
- 1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
- InChIKey
- IRIAEXORFWYRCZ-UHFFFAOYSA-N
- SMILES
- CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2
- LogP
- 4.84 at · 4.84 at 20℃
- Toxicology and Carcinogenesis
- Toxicology and Carcinogenesis Studies of Butyl Benzyl Phthalate (CASRN 85-68-7) in F344 Rats (Feed Studies)Carcinogenesis Bioassay of Butyl Benzyl Phthalate (CASRN 85-68-7) in F344/N Rats and B6C3F1 Mice (Feed Study)
- Substances of Very High Concern (SVHC) Candidate List
- Benzyl butyl phthalate (BBP) (85-68-7)
- REACH Annex XVII Substances List
- Benzyl butyl phthalate (BBP) (85-68-7)
- FDA 21 CFR
- 175.105 · 175.105; 176.170; 176.180
- Indirect Additives used in Food Contact Substances
- BUTYL BENZYL PHTHALATE
- CAS DataBase Reference
- 85 · 85-68-7(CAS DataBase Reference)
- EWG's Food Scores
- 7 · 7-10
- FDA UNII
- 4 PJX59M · YPC4PJX59M
- Proposition 65 List
- Butyl Benzyl Phthalate
- IARC
- 3 · 3 (Vol. Sup 7, 73) 1999
- NIST Chemistry Reference
- Phthalic acid, benzyl butyl ester(85-68-7)
- EPA Substance Registry System
- Butyl benzyl phthalate (85-68-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 43 · NA.43
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 360 FD-H410 · H360FD-H410
- Precautionary statements
- 202 · P202-P273-P280-P308+P313-P391-P405
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,N
- Risk Statements
- 61 · 61-50/53-62
- Safety Statements
- 53 · 53-45-60-61
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 9990000 · TH9990000
- Autoignition Temperature
- 450 °F · 450 °F
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29173400 · 29173400
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Repr. 1B
- Hazardous Substances Data
- 85 · 85-68-7(Hazardous Substances Data)
- Toxicity
- 50 for · Acute oral LD50 for guinea pigs 13,750 mg/kg, mice 4,170 mg/kg, rats 2,330 mg/kg (quoted, RTECS, 1985).
- REACH Registrations
- Active
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TH9990000
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29173400
- Toxicity
- Acute oral LD50 for guinea pigs 13,750 mg/kg, mice 4,170 mg/kg, rats 2,330 mg/kg (quoted, RTECS, 1985).
- risk_code
- 61-50/53-62
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- T,N
- safety_code
- 53-45-60-61
- hazard_class
- 9
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H360FD-H410
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Repr. 1B
- Autoignition Temperature
- 450 °F
- Precautionary statements
- P202-P273-P280-P308+P313-P391-P405
- Hazardous Substances Data
- 85-68-7(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionButyl benzyl phthalate is a clear, oily liquidwith a slight odor. Molecular weight = 312.39; Specificgravity (H2O:1): 1.1; Boiling point = 370; Freezing/Melting point 5 2 34.7C; Relative vapor density (air = 1):10.8; Vapor pressure = very low; Flash point =199℃;Autoignition temperature =422℃. Hazard Identification(based on NFPA-704 M Rating System): Health 1,Flammability 1, Reactivity 0. Practically insoluble in water.
UsesBenzyl n-butyl phthalate is used as a plasticizer for vinyl foams. It is also used in floor tiles, in traffic cones, food conveyor belts and artificial leather. Further, it acts as an organic intermediate. In addition to this, it is used as a perfume fixative.
UsesA phthalate metabolite with genotoxic effect.
General DescriptionA clear colorless liquid with a mild odor. Primary hazard is to the environment. Immediate steps should be taken to limit spread to the environment. Easily penetrates the soil to contaminate groundwater and nearby waterways.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Butylbenzyl phthalate is a benzyl ester.
Related reactions
1 records
Linked notes
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