Benzyl butyl phthalate
SIAL/42438 - certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
CAS Number: 85-68-7
Empirical Formula (Hill Notation): C19H20O4
Molecular Weight: 312.36
EC Number: 201-622-7
MDL Number: MFCD00009440
Linear Formula: 2-[CH3(CH2)3O2C]C6H4CO2CH2C6H5
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 42438-50MG
| application(s) | cleaning products cosmetics environmental food and beverages personal care |
| autoignition temp. | 450 °F |
| density | 1.1 g/mL at 25 °C (lit.) |
| format | neat |
| grade | TraceCERT® |
| certified reference material | |
| InChI | 1S/C19H20O4/c1-2-3-13-22- |
| InChI key | IRIAEXORFWYRCZ-UHFFFAOYSA |
| manufacturer/tradename | Manufactured by: Sigma-Aldrich Production GmbH, Switzerland |
| product line | TraceCERT® |
| Quality Level | 300  |
| refractive index | n |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCOC(=O)c1ccccc1C(=O)OC |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable | |
| vapor density | 10.8 (vs air) |
| vapor pressure | 0.16 mmHg ( 150 °C) |
| Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
| General description: | This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ. Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate. Download your certificate at: http://www.sigma-aldrich. |
| General description: | This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here |
| Legal Information: | TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany |
| Other Notes: | Ion Mobility: TWCCSN2 value of 175.9 Å2 [M+Na]+ The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer. For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com  . Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage. TWCCS measurements are expected to be within 2% of this reference value. P/N 42438 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace. |
| Packaging: | Bottomless glass bottle. Contents are inside inserted fused cone. |
| Recommended products: | Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial . |
| Symbol |   GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H360FD - H410 |
| Precautionary statements | P202 - P273 - P280 - P308 + P313 - P391 - P405 |
| Hazard Codes | T,N |
| Risk Statements | 61-50/53-62 |
| Safety Statements | 53-45-60-61 |
| RIDADR | UN 3082 9 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113.0 °C - closed cup |
| Density | 1.1 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116107 |