기본 정보
- 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
이름 더 보기
데이터베이스 식별자
- CAS
622-08-2- PubChem CID
- 12141
- DTXSID
DTXSID3060744- UNII
- 06S8147L47
- EC Number
- 210-719-3
- Nikkaji
- J6.835G
물성
구조 계산 물성
- 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
실험 및 물리화학적 성질
Kovats Retention Index
1252.6;1275
2129
물리화학적 성질
- 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
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.
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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.;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
Chemical: Ethanol, 2-(phenylmethoxy)-
Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596
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.
NFPA Hazard Classification
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
Acute Tox. 4 (100%);Skin Irrit. 2 (97.6%);Eye Irrit. 2 (97.6%);STOT SE 3 (97.6%)
Acute toxicity (Oral) - Category 4;Serious eye damage/eye irritation - Category 1
안전 및 보호
Fire Fighting Procedures
CARBON DIOXIDE, DRY CHEMICAL
WATER SOLUBLE: NO; "ALCOHOL" FOAM. WATER OR FOAM MAY CAUSE FROTHING.
독성 정보
Human Toxicity Excerpts
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.
규제 정보
Regulatory Information
Chemical: Ethanol, 2-(phenylmethoxy)-
Status: Active Update: 31-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31596
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.
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)
화학 및 산업
용도 및 제조
Uses
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];Painting (Solvents) [Category: Paint];Leather Tanning and Processing [Category: Industry];Textiles (Printing, Dyeing, or Finishing) [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
응용 분야
용도2-Benzyloxyethanol is used in a base-free iridium-catalyzed direct alkylation of active methylene compounds with alcohols.
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