기본 정보
- 표준 SMILES
Oc1ccccc1Cc1ccccc1- InChIKey
CDMGNVWZXRKJNS-UHFFFAOYSA-N- 분자식
- C13H12O
- 평균 분자량
- 184.23 g/mol
- 단동위원소 질량
- 184.088815
이름 및 식별자
- 우선 이름
- 2-Benzylphenol
- IUPAC
- 2-benzylphenol
- 영어명
- 2-Hydroxydiphenylmethane
- 분자식
- C13H12O
- 분자량
- 184.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1322-51-6、28994-41-4- PubChem CID
- 24216
- DTXSID
DTXSID0067428- ChEMBL
CHEMBL122649- UNII
- SF555BL24O
- EC Number
- 215-339-1、249-361-8
- Nikkaji
- J94.943D
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 161
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 49 · 49-51 °C (lit.) 49-51 °C
- 끓는 점
- 312 °C · 312 °C (lit.)
- 밀도
- 1.012 · 1.0120 (rough estimate)
- 굴절률
- 20 · nD20 1.59945
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 실질적으로 불용성
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 10.39 · 10.39±0.30(Predicted)
- 색상
- 흰색에서 갈색으로
- 수용성
- 실질적으로 불용성
- Merck
- 14 · 14,1142
- BRN
- 2045725 · 2045725
- InChI
- 1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
- InChIKey
- CDMGNVWZXRKJNS-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1Cc2ccccc2
- NIST
- 2 · Phenol, 2-(phenylmethyl)-(28994-41-4)
- EPA
- 2 · Phenol, 2-(phenylmethyl)- (28994-41-4)
화학적 성질
colorless to red-pink crystals
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.;There are 5 notifications provided by 45 of 46 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
Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19809
Phenol, 2-(phenylmethyl)-: 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.
Hazard Classes and Categories
Skin Irrit. 2 (97.8%);Eye Irrit. 2 (97.8%);STOT SE 3 (95.7%)
Not Classified
규제 정보
Regulatory Information
Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19809
Phenol, 2-(phenylmethyl)-: 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
- HS 번호
- 29071990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도2-Benzylphenol was used as starting reagent in the synthesis of 2-benzylacetate. It was also used in the the synthesis of 6- and 8-benzyl derivatives of 2-(dialkylamino)chromones.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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