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Mono(2-ethylhexyl) phthalate

HCID 20393
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1276197-22-8
표준 SMILES
CCCCC(CC)COC(=O)c1ccccc1C(=O)O
InChIKey
DJDSLBVSSOQSLW-UHFFFAOYSA-N
분자식
C16H22O4
평균 분자량
278.34 g/mol
단동위원소 질량
278.15180918

개요

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

이름 및 식별자

우선 이름
Mono(2-ethylhexyl) phthalate
IUPAC
2-(2-ethylhexoxycarbonyl)benzoic acid
영어명
Phthalic acid mono-2-ethylhexyl ester
분자식
C16H22O4
분자량
278.34

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

CAS
1276197-22-8、4376-20-9
PubChem CID
20393
DTXSID
DTXSID2025680
ChEMBL
CHEMBL1867438
ChEBI
CHEBI:17243
UNII
FU2EWB60RT
EC Number
224-477-1、975-258-9
Nikkaji
J28.572B

물성

구조 계산 물성

XLogP
4
극성 표면적
63.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
9
무거운 원자 수
20
형식 전하
0
복잡도
314

실험 및 물리화학적 성질

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 · 2건

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

Solid

Collision Cross Section · 2건

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

182.27 Ų [M+Na]+

물리화학적 성질

녹는점
25 · 25-27℃
끓는 점
341.16 °C · 341.16°C (rough estimate)
밀도
0 · 0,107 g/cm3
굴절률
1.5051 · n/D1.5051
인화점
93 °C · >93 °C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
3.37 · 3.37±0.36(Predicted)
물리적 상태
액체(무색)
색상
무색~회백색 오일
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
Mono(2-ethylhexyl) phthalate (4376-20-9)

화학적 성질

Colorless Oil

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 2건

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 · 1건

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.

Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 3건

Skin Irrit. 2 (97.5%)

Acute Tox. 4 (100%)

Reproductive toxicity - category 1B

안전 및 보호

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

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 · 1건

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) · 1건

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)

독성 정보

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

안전 데이터

wgk
3
rtecs
TI2500000
HS 번호
2917340090
risk_code
36/37/38-36/38
hazard_code
Xi
safety_code
26-36/37/39
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane
응용 분야 · 2건

용도Phthalic 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).

일반 설명Clear colorless to cloudy white viscous liquid.

상·하류 제품 정보

하류 제품

디(2-에틸헥실)프탈레이트

공급사95 곳

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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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추가 설명

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

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