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Dibenzyl oxalate

HCID 82058
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7579-36-4
Standard SMILES
O=C(OCc1ccccc1)C(=O)OCc1ccccc1
InChIKey
ZYZXGWGQYNTGAU-UHFFFAOYSA-N
Molecular formula
C16H14O4
Average molar mass
270.28 g/mol
Monoisotopic mass
270.08920892

Names & identifiers

Preferred name
Dibenzyl oxalate
IUPAC
dibenzyl oxalate
English name
Dibenzyl oxalate
Molecular formula
C16H14O4
Molecular weight
270.28

Names & synonyms

Dibenzyl oxalateOxalic acid, dibenzyl esterbenzyl oxalateEthanedioic acid, bis(phenylmethyl) esterDTXSID4038926Ethanedioic acid, 1,2-bis(phenylmethyl) esterUNII-9A31Q81DDC9A31Q81DDCNSC-52550J47.316BAI3-32527DTXCID2018926
Show more names
acidibenzyl esterF-205(DBO、HS2046)Dibenzyl oxalate 98%Dibenzyl oxalate,97%Dibenzyl oxalate (95%)oxalic acid dibenzyl esteroxalic acid bis(phenylmethyl) ester
NSC 52550RefChem:132864616-266-17579-36-4Dibenzyl Oxylatedibenzyl ethanedioatedibenzyloxalatMFCD00426620

Database identifiers

CAS
7579-36-4
PubChem CID
82058
DTXSID
DTXSID4038926
ChEMBL
CHEMBL3184779
UNII
9A31Q81DDC
EC Number
616-266-1
Nikkaji
J47.316B

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
282

Physicochemical properties

Melting point
80 · 80-82 °C (lit.)
Boiling point
235 °C/14 · 235 °C/14 mmHg (lit.)
Density
1.212 · 1.212
refractive index
1.5447 · 1.5447 (estimate)
Flash point
171 °C · 171°C
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form
Solid
color
White to Off-White
InChI
InChI=1S/C16H14O4/c17-15(19-11-13-7-3-1-4-8-13)16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
ZYZXGWGQYNTGAU-UHFFFAOYSA-N
SMILES
C(OCC1=CC=CC=C1)(=O)C(OCC1=CC=CC=C1)=O
CAS DataBase Reference
7579 · 7579-36-4
FDA UNII
9 A31Q81DDC · 9A31Q81DDC
NIST Chemistry Reference
Ethanedioic acid, bis(phenylmethyl) ester(7579-36-4)

Safety & regulation

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

Hazard information

Regulatory Information · 2 items

Chemical: Ethanedioic acid, bis(phenylmethyl) ester

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29171100
risk_code
36/37/38
hazard_code
Xi
safety_code
37/39-26
Storage Class
11 - Combustible Solids
REACH Registrations
Inactive

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanedioic acid, 1,2-bis(phenylmethyl) ester: ACTIVE

Applications

UsesDibenzyl Oxalate is sensitizer; used in method for preparing composite color-changing temperature fiber.

Preparation methods · 1 item

PreparationIn a 100mL three-necked flask equipped with a thermometer, a water separator, and a reflux condenser, add the experimental amounts of oxalic acid, benzyl alcohol, and a dehydrating agent. Heat and stir until the oxalic acid is completely dissolved. Then add a certain amount of catalyst and heat under reflux until no water droplets are formed in the water separator, indicating that the reaction is complete. Next, change the reactor to a distillation apparatus to distill off most of the dehydrating agent. Pour the remaining reaction solution into 100g of crushed ice while hot, resulting in the formation of a large amount of white precipitate. Let it stand until precipitation is complete, filter, wash the filter cake twice with distilled water, and dry it. Remove the filter cake and recrystallize it with 50mL of ethanol, resulting in white flaky crystals. Filter, dry, weigh, and calculate the yield of dibenzyl oxalate.

Suppliers100 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

2 records
New reaction record
HRID 906846 reaction equation
HRID 906846As reactantuspto-grants-2011_09
HRID 1455213 reaction equation
HRID 1455213As reactantuspto-grants-2009_01

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
EPA Substance Registry System
Ethanedioic acid, bis(phenylmethyl) ester (7579-36-4)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
PPE
95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
37 · 37/39-26
WGK Germany
3 · 3
TSCA
TSCA listed
HS Code
29171100 · 29171100
Storage Class
11 · 11 - Combustible Solids
REACH Registrations
Inactive
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
昌邑市隆昌生物化工有限公司+86-13256193735; +86-13256193735 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
欧利希(湖北)医药科技有限公司17316404525 17316404525 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
Hebei Zhuanglai Chemical Trading Co.,Ltd13343047651 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海双锕化学科技有限公司15010167677 · [email protected]