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Ethyl phthalyl ethyl glycolate

HCID 6785
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
84-72-0
Standard SMILES
CCOC(=O)COC(=O)c1ccccc1C(=O)OCC
InChIKey
PZBLUWVMZMXIKZ-UHFFFAOYSA-N
Molecular formula
C14H16O6
Average molar mass
280.27 g/mol
Monoisotopic mass
280.09468823

Names & identifiers

Preferred name
Ethyl phthalyl ethyl glycolate
IUPAC
2-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl benzene-1,2-dicarboxylate
English name
Ethyl phthalyl ethyl glycolate
Molecular formula
C14H16O6
Molecular weight
280.27

Names & synonyms

Ethyl phthalyl ethyl glycolate84-72-0Ethoxycarbonylmethyl ethyl phthalateDTXSID3024100UNII-C591YI5BTGEINECS 201-555-3C591YI5BTGBRN 1389422AI3-01794DTXCID6041001,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl-, ethyl ester4-09-00-03256 (Beilstein Handbook Reference)
Show more names
EPEGSanticizere-15Ethylphalyl EthylglycolateETHYLPHTHALAYLETHYLGLYCOLATEETHYLPHTHALYLETHYLGLYCOLLATECarbethoxymethylethylphthalateEthylcarbethoxymethylphthalateEthyl Phathalylethylgylcolate
1,2-Benzenedicarboxylic acid, 1-(2-ethoxy-2-oxoethyl) 2-ethyl esterRefChem:1390441,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl-, ethyl ester (9CI)201-555-3PZBLUWVMZMXIKZ-UHFFFAOYSA-NSanticizer E-15Diethyl o-carboxybenzoyloxyacetateETHYL CARBETHOXYMETHYL PHTHALATE

Database identifiers

CAS
84-72-0
PubChem CID
6785
DTXSID
DTXSID3024100
ChEMBL
CHEMBL3187049
UNII
C591YI5BTG
EC Number
201-555-3
Nikkaji
J46.810J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
78.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
352

Experimental & physicochemical properties

SpringerMaterials PropertiesViscosity
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physicochemical properties

Melting point
20 °C · 20°C
Boiling point
384.9 °C · 384.9°C (rough estimate)
Density
1 · 1,19 g/cm3
vapor pressure
0.001 Pa · 0.001Pa at 20℃
refractive index
1.498 · 1.4980-1.5000
Flash point
185 °C · 185°C
storage temp.
Refrigerator, Under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Oil
color
Colourless
Water Solubility
799 mg/L · <799mg/L(20 ºC)
LogP
2.2 at · 2.2 at 25℃
Indirect Additives used in Food Contact Substances
ETHYL PHTHALYL ETHYL GLYCOLATE
FDA 21 CFR
181.27 · 181.27
EWG's Food Scores
1 · 1
FDA UNII
591 YI5BTG · C591YI5BTG
EPA Substance Registry System
Ethoxycarbonylmethyl ethyl phthalate (84-72-0)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
317 · H317-H412
Precautionary statements
273 · P273-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39-24/25
RTECS
2060000 · TI2060000
HS Code
29173490 · 29173490
REACH Registrations
Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Regulation (EC) No 178/2002 (amended)

REACH registered substance: Ethoxycarbonylmethyl ethyl phthalate (EC: 201-555-3)

Hazard Classes and CategoriesSkin Sens. 1 (66.7%)

Toxicology

RAIS Toxicity Values · 2 items

3

IRIS Current

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 items

1.90e+05

2.50e+06

5.80e+04

7.00e+02

1.30e+02

3.00e+00

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 items

5.70e+05

7.40e+06

1.70e+05

7.00e+02

3.00e+00

Volatile

Safety data

rtecs
TI2060000
hs_code
29173490
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39-24/25
Hazard statements
H317-H412
REACH Registrations
Active
Precautionary statements
P273-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Applications

UsesPlasticizer; food additive.

Suppliers49 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
湖北川合化工有限公司187-7130-7593 18672969259 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
Aladdin Scientific[email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Richest Group Ltd18017061086 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes