4-Vinylphenol (HCID 62453)

이름 및 식별자

우선 이름: 4-Vinylphenol
IUPAC: 4-ethenylphenol
현지명: 폴리파라비닐페놀
영어명: Poly(p-hydroxystyrene)
분자식: C8H8O
분자량: 120.15

이름 및 동의어

4-Vinylphenol4-Hydroxystyrene2628-17-34-ETHENYLPHENOLp-VinylphenolPhenol, 4-ethenyl-p-HydroxystyrenePhenol, P-vinyl-FEMA No. 3739OA7V1SM8YLCHEBI:1883RefChem:527097

이름 더 보기

파라비닐페놀폴리머폴리(P-비닐페놀)폴리-4-히드록시스티렌폴리파라비닐페놀폴리(P-비닐페놀)(POLY(P-VINYLPHENOL))PHSPOLY(4-VINYLPHENOL)Maruzen mMW22000Nsc114470PVP POLYMER4-VINYLPHENOL POLYMERp-Vinylphenol polymerPOLY(P-HYDROXYSTYRENE)POLY(4-HYDROXYSTYRENE)

220-103-64-Vinylphenol, 10 wt.% In propylene glycolMFCD00017593C8H8OCHEMBL349881EINECS 220-103-6UNII-OA7V1SM8YLBRN 0506844

데이터베이스 식별자

CAS: 24979-70-2、2628-17-3
PubChem CID: 62453
DTXSID: DTXSID7073301
ChEMBL: CHEMBL349881
ChEBI: CHEBI:1883
UNII: OA7V1SM8YL
EC Number: 220-103-6
Nikkaji: J38.247G

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 90

실험 및 물리화학적 성질

Solubility · 2건

soluble in water; slightly soluble in fat

moderately soluble (in ethanol)

Boiling Point189 °C

Melting Point73.5 °C

Physical Description · 2건

Solid

White solid, vanilla extract odour

Kovats Retention Index · 3건

1180；1188；1199；1200；1173；1194；1190；1240；1190；1190；1190；1186.6；1190

1224；1237；1229；1229；1247；1219；1199；1212；1211；1224；1216；1223；1229；1219；1215.6；1221；208.7

2353；2379；2379；2372；2411；2417；2379；2377；2377；2397；2378；2379；2377；2398；2358；2384；2369；2340；2350；2352

물리화학적 성질

녹는점: 360 °C · 360 °C (dec.)
밀도: 1.16 g/mL · 1.16 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.6
인화점: 308 °C · 308°C
저장 조건: -20 °C · Store at -20°C
용해도: 에 용해됨알코올, 에테르, 케톤 및 에스테르
물리적 상태: Solid
색상: White to off-white
InChI: 1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
InChIKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
SMILES: Oc1ccc(C=C)cc1
EPA: 4 · Phenol, 4-ethenyl-, homopolymer (24979-70-2)

화학적 성질

Tg 136°C

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1% (3 of 309) of reports.

Danger

H301 (56.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H310 (14.2%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H311 (36.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (50.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (21%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (46%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (36.6%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H334 (36.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (19.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (23.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H361 (23%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H372 (23.3%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

P203, P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 309 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 309 reports by companies.；There are 12 notifications provided by 306 of 309 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.

유해성 정보

Regulatory Information · 4건

Chemical: Phenol, 4-ethenyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 28-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26687

Phenol, 4-ethenyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and Categories · 1건

Acute Tox. 3 (56.3%)；Acute Tox. 4 (37.5%)；Acute Tox. 1 (14.2%)；Acute Tox. 3 (36.6%)；Skin Corr. 1B (50.8%)；Skin Irrit. 2 (21%)；Skin Sens. 1 (50.8%)；Eye Dam. 1 (46%)；Acute Tox. 2 (36.6%)；Resp. Sens. 1 (36.6%)；STOT SE 3 (19.7%)；Muta. 2 (23.3%)；Repr. 2 (23%)；STOT RE 1 (23.3%)

규제 정보

Regulatory Information · 4건

Chemical: Phenol, 4-ethenyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 28-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26687

Phenol, 4-ethenyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
risk_code: 36
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-13313
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야 · 2건

용도Poly(p-hydroxystyrene) can substitute for Novolac resins in photoresists, adhesion promoter and improves heat resistance in hot melt adhesives and surface treatment in metal finishing. Derivatives used as antioxidants and flame retardants in plastics. Component of polymer blends to modify surface characteristics and improve impact resistance.

일반 설명Poly(4-vinylphenol) (PVP) is a polymeric cross-linker mainly used as a layer to improve adhesion by forming a non-toxic and low cost film. It is an acidic polymer which consists of more than 100 hydroxyl groups in one molecule of PVP which result in high stability and complexation of the films.