CAS RN: 120-61-6
Dimethyl Terephthalate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250708 | 5g | In stock | Shanghai, Guangdong | Inquiry |
- Product code: SSC-020797
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 500g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
120-61-6 / dimethyl benzene-1,4-dicarboxylate
DIMETHYL TEREPHTHALATE | Dimethyl p-phthalate | 1,4-Benzenedicarboxylic acid, dimethyl ester
Basic Information
CAS
120-61-6
Multi CAS
Yes
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
InChIKey
WOZVHXUHUFLZGK-UHFFFAOYSA-N
Synonyms
DIMETHYL TEREPHTHALATE
Dimethyl p-phthalate
1,4-Benzenedicarboxylic acid, dimethyl ester
dimethyl benzene-1,4-dicarboxylate
Dimethyl 4-phthalate
Physical Properties
Melting Point
284 to 288 °F (NTP, 1992)
141 °C
Heat of fusion at melting point = 3.1630X10+7 J/kmol
140 °C
Boiling Point
572 °F at 760 mmHg (sublimes) (NTP, 1992)
288 °C
Density
1.2 at 68 °F 1.08 at 145 °C (liquid) (USCG, 1999) - Denser than water; will sink
1.075 g/cu cm at 141 °C
1.2 g/cm³
Physical Description
Dimethyl terephthalate appears as white solid or heated colorless liquid. Has no odor. Liquid solidifies in cool water. Solid and liquid sink in water. (USCG, 1999)
Pellets or Large Crystals; Dry Powder
Colorless solid; [Hawley] White solidified mass;
WHITE FLAKES.
Appearance
Colorlesss crystals
NEEDLES FROM ETHER
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures and keep it away from oxidizers. (NTP, 1992)
Store in an area without drain or sewer access.
Store in tightly closed containers in a cool, well-ventilated area away from oxidizers, nitrates, acids and sources of ignition
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.12
TPSA
52.6
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
2.2
Consensus LogP
1.52
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
Danger
GHS Hazard Statements
H317 (13.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H320: Causes eye irritation [Warning Serious eye damage/eye irritation]
H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
H303: May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501
P261, P271, P304+P340, P319, P403+P233, P405, and P501
P261, P264+P265, P271, P273, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501
P260, P261, P264, P264+P265, P270, P271, P301+P317, P304+P340, P305+P351+P338, P319, P332+P317, P337+P317, P403+P233, P405, and P501
