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2-Dimethylaminoethyl benzoate

HCID 75158
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2208-05-1
Standard SMILES
CN(C)CCOC(=O)c1ccccc1
InChIKey
KJSGODDTWRXQRH-UHFFFAOYSA-N
Molecular formula
C11H15NO2
Average molar mass
193.24 g/mol
Monoisotopic mass
193.11027872

Names & identifiers

Preferred name
2-Dimethylaminoethyl benzoate
IUPAC
2-(dimethylamino)ethyl benzoate
English name
2-(Dimethylamino)ethyl benzoate
Molecular formula
C11H15NO2
Molecular weight
193.24

Names & synonyms

2-(Dimethylamino)ethyl benzoate2208-05-12-Dimethylaminoethyl BenzoateBenzoic acid, 2-(dimethylamino)ethyl esterDimethylaminoethylbenzoateCTR9XQ3WE5DTXSID1062251RefChem:565449DTXCID8036603218-630-1Benzoic Acid 2-(Dimethylamino)ethyl EsterMFCD00051067
Show more names
DMBRING7D6S221EDM betaSPEEDCURE DMB2-(Dimethylamino)eth2-Methyl-337-nitrobenzyl&chloride2-DIMETHYLAMINOETHYLBENZOATE (DMB)
2-(Dimethylamino)ethylbenzoatebenzoic acid 2-dimethylaminoethyl ester2-(Dimethylaminoethyl)benzoateN,N-Dimethyl(2-benzoyloxyethyl)amineQuantacure DMB2-(Dimethylamino)-ethanol Benzoate; 2-Dimethylaminoethyl Benzoate; N,N-Dimethyl(2-benzoyloxyethyl)amine; N,N-Dimethylaminoethyl BenzoateSCHEMBL655442-(dimethylamino) ethylbenzoat

Database identifiers

CAS
2208-05-1
PubChem CID
75158
DTXSID
DTXSID1062251
UNII
CTR9XQ3WE5
EC Number
218-630-1
Nikkaji
J208.131H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
174

Physicochemical properties

Boiling point
155 · 155-159 °C20 mm Hg(lit.)
Density
1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.5077(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Oil
pka
8.42 · 8.42±0.28(Predicted)
color
Colourless
InChIKey
ORBFAMHUKZLWSD-UHFFFAOYSA-N
CAS DataBase Reference
2208 · 2208-05-1(CAS DataBase Reference)
NIST Chemistry Reference
2 · Benzoic acid, 2-(dimethylamino) ethyl ester(2208-05-1)
EPA Substance Registry System
2 · Benzoic acid, 2-(dimethylamino)ethyl ester (2208-05-1)
Symbol(GHS)
7 · GHS07
Signal word

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 · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Benzoic acid, 2-(dimethylamino)ethyl ester

Benzoic acid, 2-(dimethylamino)ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (97.5%);STOT SE 3 (95%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzoic acid, 2-(dimethylamino)ethyl ester

Benzoic acid, 2-(dimethylamino)ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2-(dimethylamino)ethyl ester: ACTIVE

Applications

UsesBenzoic Acid 2-(Dimethylamino)ethyl Ester is an alternative initiator for bimolecular photoinitiating systems.

Suppliers89 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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.

Related reactions

12 records
New reaction record
HRID 215493 reaction equation
HRID 215493As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 223271 reaction equation
HRID 223271As productuspto-grants-1982_10
HRID 837907 reaction equation
HRID 837907As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1139212 reaction equation
HRID 1139212As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1195421 reaction equation
HRID 1195421As productuspto-grants-1992_05
HRID 1195424 reaction equation
HRID 1195424As reactantuspto-grants-1992_05
HRID 1613689 reaction equation
HRID 1613689As productuspto-grants-1993_03
HRID 1613692 reaction equation
HRID 1613692As reactantuspto-grants-1993_03
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
WGK Germany
3 · 3
TSCA
TSCA listed
HS Code
2922498590 · 2922498590

Safety data

wgk
3
tsca
TSCA listed
hs_code
2922498590
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
+86-17531190177 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [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]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
安世达(山东)新材料科技有限公司18053179586
江苏奥赛康药业有限公司13585114296 13585114296 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]