1,4-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) 4-methyl ester

HCID 77207
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Basic information

CAS
3645-00-9
Standard SMILES
COC(=O)c1ccc(C(=O)OCCO)cc1
InChIKey
DJQMYWWZWUOCBQ-UHFFFAOYSA-N
Molecular formula
C11H12O5
Average molar mass
224.21 g/mol
Monoisotopic mass
224.06847348

Names & identifiers

Preferred name
1,4-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) 4-methyl ester
IUPAC
4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate
English name
Terephthalic acid 2-hydroxyethyl methyl ester
Molecular formula
C11H12O5
Molecular weight
224.21

Names & synonyms

2-Hydroxyethyl methyl terephthalate3645-00-91-(2-hydroxyethyl) 4-methyl benzene-1,4-dicarboxylateQR42U3BY92Terephthalic acid, 2-hydroxyethyl methyl esterEINECS 222-877-01,4-Benzenedicarboxylic acid, 2-hydroxyethyl methyl esterDTXSID90631121,4-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) 4-methyl ester.BETA.-HYDROXYETHYL METHYL TEREPHTHALATERefChem:416019DTXCID6039180
Show more names
2-HydroxyethylmethylterephthalatTerephthalicacidhydroxyethylmethylester1-(2-Hydroxyethyl) 4-methyl terephthalate2-Hydroxyethyl Methyl Terephthalate, ≥ 97.0%6-bromo-4-hydroxy-3-methoxy-2-nitrobenzaldehydeTerephthalic acid 1-(2-hydroxyethyl)4-methyl esterTerephthalic acid 1-methyl 4-(2-hydroxyethyl) ester4-(Methoxycarbonyl)benzoic acid 2-hydroxyethyl ester
BETA-HYDROXYETHYL METHYL TEREPHTHALATE222-877-0Terephthalic Acid 2-Hydroxyethyl Methyl EsterMFCD013211914-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate2-hydroxyethyl methyl benzene-1,4-dicarboxylateO 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylateUNII-QR42U3BY92

Database identifiers

CAS
3645-00-9
PubChem CID
77207
DTXSID
DTXSID9063112
UNII
QR42U3BY92
EC Number
222-877-0
Nikkaji
J205.564C

Properties

Computed structural properties

XLogP
1
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
16

Physicochemical properties

Melting point
82 °C · 82 °C
Boiling point
370.4 · 370.4±22.0 °C(Predicted)
Density
1.25 · 1.250±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

wgk
WGK 3
tsca
TSCA listed
hs_code
2917.39.7000
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,4-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) 4-methyl ester: INACTIVE

Applications

Uses2-Hydroxyethyl Methyl Terephthalate is a derivative of polyethylene terepthalate comprised of terephthalic acid units (T112500), a benzenepolycarboxylic acid with potential anti-hemorrhagic properties.

Upstream & downstream products

Suppliers49 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

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Compound notes

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