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Merck
CN

442503

Supelco

Benzyl butyl phthalate

analytical standard

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About This Item

Linear Formula:
2-[CH3(CH2)3O2C]C6H4CO2CH2C6H5
CAS Number:
85-68-7
Molecular Weight:
312.36
Beilstein:
2062204
EC Number:
201-622-7
MDL number:
MFCD00009440
UNSPSC Code:
41115711
PubChem Substance ID:
24867877

Key Documents

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grade

analytical standard

vapor density

10.8 (vs air)

vapor pressure

0.16 mmHg ( 150 °C)

CofA

current certificate can be downloaded

autoignition temp.

450 °F

packaging

ampule of 1000 mg

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.54 (lit.)

density

1.1 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

storage temp.

2-30°C

SMILES string

CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2

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

InChI key

IRIAEXORFWYRCZ-UHFFFAOYSA-N

Gene Information

mouse ... Esr1(13982)

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General description

This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)
This product has been discontinued. Product 36927-250mg may be an acceptable replacement.

Pictograms

Health hazardEnvironment
GHS08,GHS09

Signal Word

Danger

Hazard Statements

H360FD,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 1B

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
LC26422V
LC21158V
LC10598V
LB99641V
LB91922V

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Rapid analysis of six phthalate esters in wine by ultrasound-vortex-assisted dispersive liquid-liquid micro-extraction coupled with gas chromatography-flame ionization detector or gas chromatography-ion trap mass spectrometry.
Cinelli G, et al.
Analytica Chimica Acta, 769(1-2), 72-78 (2013)
Stir bar sorptive extraction and trace analysis of selected endocrine disruptors in water, biosolids and sludge samples by thermal desorption with gas chromatography-mass spectrometry.
Tan BLL, et al.
Water Research, 42(1-2), 404-412 (2008)
Determination of phthalates and adipate in bottled water by headspace solid-phase microextraction and gas chromatography/mass spectrometry.
Cao XL.
Journal of Chromatography A, 1178(1-2), 231-238 (2008)
Gas chromatography-mass spectrometry determination of the migration of phthalate plasticisers from polyvinyl chloride toys and childcare articles.
Earls AO.
Journal of Chromatography A, 983(1-2), 237-246 (2003)
Hadi Farahani et al.
Talanta, 76(4), 718-723 (2008-07-29)
A simple and efficient liquid-phase microextraction (LPME) technique was developed using directly suspended organic microdrop coupled with gas chromatography-mass spectrometry (GC-MS), for the extraction and the determination of phthalate esters (dimethyl phthalate, diethyl phthalate, diallyl phthalate, di-n-butyl phthalate (DnBP), benzyl
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