2-Ethylhexylbenzoat

2-Ethylhexyl benzoate

HCID 94310CAS 5444-75-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCCCC(CC)COC(=O)c1ccccc1
InChIKey
UADWUILHKRXHMM-UHFFFAOYSA-N
Summenformel
C15H22O2
Durchschnittliche Molmasse
234,33 g/mol
Monoisotopische Masse
234,16197994

Namen und Bezeichner

Bevorzugter Name
2-Ethylhexyl benzoate
IUPAC
2-ethylhexyl benzoate
Lokaler Name
2-Ethylhexylbenzoat
Englischer Name
Benzoic acid 2-ethylhexyl ester
Summenformel
C15H22O2
Molmasse
234.33

Namen und Synonyme

2-Ethylhexyl benzoateEthylhexyl benzoateBenzoic acid, 2-ethylhexyl ester2-Ethyl-1-hexanol benzoateDTXSID4041654UNII-R63ZWW1A13R63ZWW1A13FINSOLV EBEINECS 226-641-8NSC 19155NSC-19155HI-ESTER B 508
Weitere Namen anzeigen
Velate 368t-5-DECEN-1-CYNETRANS-5-DECEN-1-YNEBENZOIC ACID 2-ETHYLHEXY2-Ethylhexyl Benzoate >
DTXCID2021654FEMA NO. 4630EC 226-641-81-HEXANOL, 2-ETHYL-, BENZOATERefChem:86979ETHYLHEXYL BENZOATE [INCI]226-641-8UADWUILHKRXHMM-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
5444-75-7
PubChem CID
94310
DTXSID
DTXSID4041654
ChEMBL
CHEMBL3184685
UNII
R63ZWW1A13
EC Number
226-641-8
Nikkaji
J210.483K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
8
Schwere Atome
17

Experimentelle und physikochemische Eigenschaften

Density0.963-0.973 (20 °C)
Solubility · 2 Einträge

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point120-121 °C (3 mm Hg)
Refractive Index1.487-1.497
Physical Description · 2 Einträge

Liquid

Colourless clear oily liquid; Ethereal aroma

Kovats Retention Index · 3 Einträge

1674

1735

2598

Physikochemische Eigenschaften

Siedepunkt
170 °C · 170 °C / 20mmHg
Dichte
0 · 0,97 g/cm3
Dampfdruck
37 Pa · 37Pa at 20℃
FEMA
4630 · 4630 | 2-ETHYLHEXYL BENZOATE
Brechungsindex
1.489 · 1.4890-1.4930
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 21.8% (49 of 225) of reports.

Danger

H360 (13.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H360F (46.2%): May damage fertility [Danger Reproductive toxicity]；H413 (18.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 225 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 49 of 225 reports by companies.；There are 5 notifications provided by 176 of 225 reports by companies with hazard statement code(s).；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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Benzoic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-ethylhexyl ester 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: No longer Valid Update: 09-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11596

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

Hazard Classes and CategoriesRepr. 1B (13.3%)；Repr. 1B (46.2%)；Aquatic Chronic 4 (18.7%)

Toxikologische Informationen

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Regulatorische Informationen

Regulatory Information · 3 Einträge

Benzoic acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-ethylhexyl ester 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: No longer Valid Update: 09-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11596

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

Sicherheitsdaten

wgk
WGK 3
tsca
TSCA listed
hs_code
2916.31.5000
risk_code
36/37/38
safety_code
26-36/37/39
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: Ethylhexyl Benzoate
U.S. Production2023: 700,000 - <850,000 lb；2022: 5,500,000 - <7,000,000 lb；2021: 5,500,000 - <7,000,000 lb；2020: 5,500,000 - <7,000,000 lb
Consumer UsesPlasticizer；Diluent
Industry UsesPlasticizer；Surfactant (surface active agent)；Processing aids not otherwise specified
Household ProductsInformation on 125 consumer products that contain 2-Ethylhexyl benzoate in the following categories is provided:；• Home Maintenance；• Inside the Home
Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Cosmetics -> Skin conditioning; Emollient; Solvent

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

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