Basic information
- Standard SMILES
CCCCOCCOC(=O)c1ccccc1- InChIKey
NMBQBIACXMPEQB-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 2-Butoxyethyl benzoate
- IUPAC
- 2-butoxyethyl benzoate
- English name
- 2-ISOBUTOXYETHYL BENZOATE
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
2-Butoxyethyl benzoateEthanol, 2-butoxy-, 1-benzoateAI3-30512NMBQBIACXMPEQB-UHFFFAOYSA-DTXSID50863546EINECS 226-685-8NSC 21857RefChem:86009DTXCID60812146226-685-8InChI=1/C13H18O3/c1-2-3-9-15-10-11-16-13(14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3NMBQBIACXMPEQB-UHFFFAOYSA-N
Show more names
2-butoxy-ethanobenzoateISOBUTYL GLYCOL BENZOATEEthyl 2-isobutoxybenzoateISOBUTYL CELLOSOLVE BENZOATEBenzoic acid 2-butoxyethyl esterBENZOIC ACID 2-ISOBUTOXYETHYL ESTER
5451-76-32-ISOBUTOXYETHYL BENZOATE2-Butoxyethanol benzoateEthanol, 2-butoxy-, benzoateBenzoic acid, 2-butoxyethyl esterEthanol, 2-butoxy-,1-benzoateGXR433LN7TNSC-21857
Database identifiers
- CAS
5451-76-3- PubChem CID
- 79543
- DTXSID
DTXSID50863546- UNII
- GXR433LN7T
- EC Number
- 226-685-8
- Nikkaji
- J210.500D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 156.5 · 156.5-157.0 °C(Press: 14.5 Torr)
- Density
- 1.0277 g/cm3 · 1.0277 g/cm3(Temp: 25 °C)
- vapor pressure
- 0.028 Pa · 0.028Pa at 20℃
- Viscosity
- 6.07 mm2/s · 6.07mm2/s
- Water Solubility
- 106 mg/L · 106mg/L at 20℃
- LogP
- 3.77 at · 3.77 at 30℃
- FDA UNII
- 433 LN7T · GXR433LN7T
- EPA Substance Registry System
- 2 · Ethanol, 2-butoxy-, benzoate (5451-76-3)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 401 · H401-H302-H411
- Precautionary statements
- 273 · P273-P501-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H411 (95.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 5 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
Ethanol, 2-butoxy-, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-butoxy-, 1-benzoate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23065
Hazard Classes and CategoriesAcute Tox. 4 (96.3%)；Aquatic Chronic 2 (95.4%)
Regulatory information
Regulatory Information
Ethanol, 2-butoxy-, 1-benzoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-butoxy-, 1-benzoate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23065
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H401-H302-H411
- REACH Registrations
- Inactive
- Precautionary statements
- P273-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <8,500,000 lb；2022: 75,000 - <500,000 lb；2021: 75,000 - <500,000 lb；2020: <75,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2-butoxy-, 1-benzoate: ACTIVE
Suppliers20 total
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Linked notes
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