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(2-Ethylhexyl)hydrogenphthalat

Mono(2-ethylhexyl) phthalate

HCID 20393
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TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
1276197-22-8
Standard-SMILES
CCCCC(CC)COC(=O)c1ccccc1C(=O)O
InChIKey
DJDSLBVSSOQSLW-UHFFFAOYSA-N
Summenformel
C16H22O4
Durchschnittliche Molmasse
278,34 g/mol
Monoisotopische Masse
278,15180918

Überblick

Mono(2-ethylhexyl)phthalate is a clear colorless to cloudy white viscous liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Mono(2-ethylhexyl) phthalate
IUPAC
2-(2-ethylhexoxycarbonyl)benzoic acid
Lokaler Name
(2-Ethylhexyl)hydrogenphthalat
Englischer Name
Phthalic acid mono-2-ethylhexyl ester
Summenformel
C16H22O4
Molmasse
278.34

Namen und Synonyme

4376-20-9Mono(2-ethylhexyl) phthalate2-Ethylhexyl hydrogen phthalateMONO-2-ETHYLHEXYL PHTHALATEMono(2-ethylhexyl)phthalateMonoethylhexyl phthalateMono-(2-ethylhexyl)phthalateDTXSID2025680BAR 1phthalic acid, 2-ethylhexyl esterFU2EWB60RTPhthalic acid, mono-(2-ethylhexyl) ester
Weitere Namen anzeigen
MONOOCTYL PHTHALATErac Mono(ethylhexyl) Phthalatebar1mono-ethylhexylUNII:FU2EWB60RTMono-Phthalate-d4monoethylhexylphthalate
DTXCID105680CHEBI:17243PHTHALIC ACID, MONO(2-ETHYLHEXYL) ESTERMEHP cpdRefChem:8192292-(((2-Ethylhexyl)oxy)carbonyl)benzoic acidMehpPHTHALIC ACID MONO-2-ETHYLHEXYL ESTER

Datenbank-Bezeichner

CAS
1276197-22-8、4376-20-9
PubChem CID
20393

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4
Polarare Oberfläche (TPSA)
63,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
9
Schwere Atome
20
Formalladung
0
Komplexität
314

Experimentelle und physikochemische Eigenschaften

Chemical ClassesPhthalate
Density1.0688 at 73 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Pointgreater than 572 °F at 760 mmHg (NTP, 1992)
Physical Description · 2 Einträge

Mono(2-ethylhexyl)phthalate is a clear colorless to cloudy white viscous liquid. (NTP, 1992)

Solid

Collision Cross Section · 2 Einträge

169.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2025680]

182.27 Ų [M+Na]+

Physikochemische Eigenschaften

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester

Hazard Traits - Developmental Toxicity; Endocrine Toxicity; Immunotoxicity; Reproductive Toxicity; Respiratory Toxicity

Other Safety InformationIMAP assessments - Monoesters of C4-6 side-chain transitional phthalates: Human health tier II assessment
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to this compound may cause skin irritation.
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1 Eintrag

MONO(2-ETHYLHEXYL)PHTHALATE may react exothermically with strong oxidizing agents. May also generate heat with caustic solutions. Flammable hydrgen is generated by mixing with alkali metals and hydrides. May be sensitive to prolonged exposure to light.

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane
Anwendungen · 1 Eintrag

VerwendenPhthalic acid mono-2-ethylhexyl ester can be used as a precursor: To synthesize dioctyl phthalate, a widely used plasticizer, via esterification reaction with 2-ethylhexanol.To prepare a fluorescent probe, 2-[[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]carbonyl] 2-ethylhexyl benzoic acid ester, to detect toxic metabolite mono-2-ethylhexyl phthalate (MEHP).

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Bis(2-ethylhexyl) phthalate

Anbieter95 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
DTXSID
DTXSID2025680
ChEMBL
CHEMBL1867438
ChEBI
CHEBI:17243
UNII
FU2EWB60RT
EC Number
224-477-1、975-258-9
Nikkaji
J28.572B
Schmelzpunkt
25 · 25-27℃
Siedepunkt
341.16 °C · 341.16°C (rough estimate)
Dichte
0 · 0,107 g/cm3
Brechungsindex
1.5051 · n/D1.5051
Flammpunkt
93 °C · >93 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
pka
3.37 · 3.37±0.36(Predicted)
Aggregatzustand
liquid (Colorless)
Farbe
Colourless to Off-White Oil
BRN
3206630 · 3206630
InChI
1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
InChIKey
DJDSLBVSSOQSLW-UHFFFAOYSA-N
SMILES
O=C(O)C1=CC=CC=C1C(OCC(CC)CCCC)=O
EPA chemische Informationen
Mono(2-ethylhexyl) phthalate (4376-20-9)
Air and Water Reactions
Insoluble in water.
Hazard Classes and Categories · 3 Einträge

Skin Irrit. 2 (97.5%)

Acute Tox. 4 (100%)

Reproductive toxicity - category 1B

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxikologische Informationen

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Sicherheitsdaten

wgk
3
hs_code
2917340090
RTECS-Nr.
TI2500000
risk_code
36/37/38-36/38
hazard_code
Xi
safety_code
26-36/37/39
Speicherklasse
10 - Combustible liquids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2
0370-6999054 17550096163 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
艾科试剂4008-755-333 18080918076 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[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]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.