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Merck
CN

34194

Dipentyl phthalate-3,4,5,6-d4

analytical standard

Synonym(s):

Di-n-pentyl phthalate-d4

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About This Item

Empirical Formula (Hill Notation):
C18D4H22O4
CAS Number:
358730-89-9
Molecular Weight:
310.42
NACRES:
NA.24
PubChem Substance ID:
329754883
UNSPSC Code:
85151701
MDL number:
MFCD01861607

Key Documents

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InChI

1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3/i7D,8D,11D,12D

SMILES string

[2H]c1c([2H])c([2H])c(C(=O)OCCCCC)c(c1[2H])C(=O)OCCCCC

InChI key

IPKKHRVROFYTEK-CXRURWBMSA-N

grade

analytical standard

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

cleaning products
cosmetics
environmental
food and beverages
personal care

format

neat

mass shift

M+4

Quality Level

100

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Application

Dipentyl phthalate-3,4,5,6-d4 may be used as a surrogate standard for investigating organophosphate flame retardants in food matrices using gas chromatography-triple quadrupole mass spectrometer (GC-MS/MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Repr. 1B

Storage Class

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

wgk

WGK 3

flash_point_f

244.4 °F - closed cup

flash_point_c

118 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCP3911
BCCL7927
BCCL3433
BCCH6988
BCCG6151

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Rice ingestion is a major pathway for human exposure to organophosphate flame retardants (OPFRs) in China.
Zhang X, et al.
Journal of Hazardous Materials, 318, 686-693 (2016)

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