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에틸렌글리콜모노벤질에테르

2-(Benzyloxy) ethanol

HCID 12141
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
622-08-2
표준 SMILES
OCCOCc1ccccc1
InChIKey
CUZKCNWZBXLAJX-UHFFFAOYSA-N
분자식
C9H12O2
평균 분자량
152.19 g/mol
단동위원소 질량
152.08372962

이름 및 식별자

우선 이름
2-(Benzyloxy) ethanol
IUPAC
2-phenylmethoxyethanol
현지명
에틸렌글리콜모노벤질에테르
영어명
2-Benzyloxyethanol
분자식
C9H12O2
분자량
152.19

이름 및 동의어

2-(Benzyloxy)ethanol622-08-22-BenzyloxyethanolEthylene glycol monobenzyl etherEthanol, 2-(phenylmethoxy)-Benzyl Glycol1-O-Benzylethanediol2-(BENZYLOXY) ETHANOL2-benzyloxyethyl alcoholHSDB 2104EINECS 210-719-3BRN 2043566
이름 더 보기
에틸렌글리콜모노벤질에테르에틸렌글리콜모노벤질에테르(ETHYLENEGLYCOLMONOBENZYLETHER)벤질글라이콜2-(벤질옥시) 에탄올2-(benzyloxy)ethan-1-olBenzyloxyethanolBenzylcelosolvBENZYL CELLOSOLVEBenzul cellusolveGlycol benzyl etherRARECHEM AL BD 0628Benzyl-PEG1-alcohol
AI3-01040UNII-06S8147L47NSC-8886BENZYL GLYCOL [INCI]DTXSID3060744BENZYL 2-HYDROXYETHYL ETHER4-06-00-02241 (Beilstein Handbook Reference)ETHYLENE GLYCOL BENZYL ETHER

데이터베이스 식별자

CAS
622-08-2
PubChem CID
12141
DTXSID
DTXSID3060744
UNII
06S8147L47
EC Number
210-719-3
Nikkaji
J6.835G

물성

구조 계산 물성보충 중

XLogP
0.9
극성 표면적
29.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
11
형식 전하
0
복잡도
87.6

실험 및 물리화학적 성질

SolventsSolvents -> Glycol Ethers (E Series)
SpringerMaterials PropertiesBoiling point
OdorFAINT, ROSE-LIKE ODOR
Density1.0640 @ 20 °C/4 °C
Color/FormWATER WHITE LIQUID
SolubilitySOL IN WATER, ALCOHOL, ETHER
Flash Point265 °F OC
Boiling Point256 °C @ 760 MM HG
Melting PointLESS THAN -75 °C
Vapor Density5.25 (AIR= 1)
Vapor Pressure0.02 [mmHg]
Refractive IndexINDEX OF REFRACTION: 1.5233 @ 20 °C/D

물리화학적 성질

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory Information · 3건

Chemical: Ethanol, 2-(phenylmethoxy)-

REACH registered substance: 2-benzyloxyethanol (EC: 210-719-3)

Ethanol, 2-(phenylmethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Ethanol, 2-(phenylmethoxy)-: Human health tier I assessment
Hazards SummaryIn oral lethal dose studies of rats, effects include general anesthesia and kidney changes; [RTECS] Toxic by ingestion; [Hawley] An irritant; [MSDSonline] See GLYCOL ETHERS.
NFPA Hazard Classification · 3건

2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.

1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

화학 및 산업

용도 및 제조

Uses · 5건

Used as a laboratory reagent, solvent (cellulose acetate, lacquers, dyes, inks, and resins), perfume fixative, and intermediate; Also used in coatings for leather, paper, and cloth; [HSDB]

Pulp and Paper Processing [Category: Industry]

LABORATORY REAGENT

SOLVENT FOR CELLULOSE ACETATE, DYES, INKS, RESINS; PERFUME FIXATIVE

ORGANIC SYNTHESIS (SELECTIVE HYDROXYETHYLATING AGENT); COATING COMPOSITIONS FOR LEATHER, PAPER, & CLOTH; LACQUERS

General Manufacturing InformationEthanol, 2-(phenylmethoxy)-: ACTIVE

응용 분야

용도2-Benzyloxyethanol is used in a base-free iridium-catalyzed direct alkylation of active methylene compounds with alcohols.

상·하류 제품 정보

하류 제품

아세트산,[2-(페닐메톡시)에톡시]-Vilanterol Impurity 14디에틸 아조디카복실산

관련 반응

130건
반응 기록 만들기
HRID 16694 반응식
HRID 16694반응물로uspto-grants-2010_06
HRID 93914 반응식
HRID 93914반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 111210 반응식
HRID 111210반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 111946 반응식
HRID 111946반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 116745 반응식
HRID 116745반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 129044 반응식
HRID 129044반응물로uspto-grants-1995_11
HRID 146575 반응식
HRID 146575반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 148349 반응식
HRID 148349반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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더보기
새 노트새 반응견적 요청하기
녹는점
-75 °C · <-75 °C
끓는 점
265 °C · 265 °C (lit.)
밀도
1.071 g/mL · 1.071 g/mL at 25 °C (lit.)
증기압
7.3 hPa · 7.3hPa at 25℃
굴절률
20 · n20/D 1.521(lit.)
인화점
110 °C · 110 °C
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
14.4 · 14.40±0.10(Predicted)
물리적 상태
액체
색상
무색의
Specific Gravity
1.07 · 1.07
냄새
은은한 장미향
수용성
4.282 g/L · 4.282g/L(23℃)
BRN
2043566 · 2043566
Henry's Law Constant
8.2 · 8.2×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
화장품 원료 기능
용제
InChIKey
CUZKCNWZBXLAJX-UHFFFAOYSA-N
LogP
1.01 at · 1.01 at 25℃
NIST
2 · Ethanol, 2-(phenylmethoxy)-(622-08-2)
EPA
2 · Ethanol, 2-(phenylmethoxy)- (622-08-2)
화학적 성질 · 1건

Ethylene glycol monobenzyl ether is a Colorless to light yellow liquid which will dissolve a large number of organic substances among which are oils, fats, greases, some vinyl resins, dewaxed damar, rosin, ester gum, etc. It is used principally as a high boiling solvent in lacquers, inks, and textile dyeing.

Acute toxicity (Oral) - Category 4

안전 및 보호

Fire Fighting Procedures · 2건

CARBON DIOXIDE, DRY CHEMICAL

WATER SOLUBLE: NO; "ALCOHOL" FOAM. WATER OR FOAM MAY CAUSE FROTHING.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Human Toxicity Excerpts · 2건

SEE GLYCOLS. MOST OF GLYCOLS HAVE LOW VOLATILITY AND CONSEQUENTLY PRESENT LITTLE DANGER FROM INHALATION OF VAPORS...THERE IS SOME EVIDENCE THAT GLYCOL ETHERS ARE MORE TOXIC THAN OTHER MEMBERS OF GROUP. /GLYCOLS/

MODERATELY TOXIC BY INGESTION.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
KJ7550000
HS 번호
29052900
risk_code
22-36/37/38
hazard_code
Xn
safety_code
26-36-37/39
기존화학 물질
KE-28391
유해 물질 데이터
622-08-2(Hazardous Substances Data)