기본 정보
- 표준 SMILES
CCCCCCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1O- InChIKey
VQMHSKWEJGIXGA-UHFFFAOYSA-N- 분자식
- C25H35N3O
- 평균 분자량
- 393.6 g/mol
- 단동위원소 질량
- 393.27801275
이름 및 식별자
- 우선 이름
- 2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
- IUPAC
- 2-(benzotriazol-2-yl)-6-dodecyl-4-methylphenol
- 현지명
- 벤조트라이아졸릴도데실p-크레솔
- 영어명
- 2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol
- 분자식
- C25H35N3O
- 분자량
- 393.57
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
125304-04-3、23328-53-2- PubChem CID
- 86375
- DTXSID
DTXSID3051886- UNII
- A1TWE4ZIKJ
- EC Number
- 639-926-0
- Nikkaji
- J791.483K
물성
구조 계산 물성
- XLogP
- 9.6
- 극성 표면적
- 50.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 432
물리화학적 성질
- 녹는점
- 350 °C · >350 °C(lit.)
- 끓는 점
- 414 ℃[at · 414℃[at 101 325 Pa]
- 밀도
- 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 20 · n20/D 1.574(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 2 O: · H2O: <0.01 ppm @ 20 °C, 불용성
- 수용성
- 130 ng/L · 130ng/L at 20℃
- 화장품 원료 기능
- 자외선 흡수제
- InChI
- InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
- InChIKey
- VQMHSKWEJGIXGA-UHFFFAOYSA-N
- SMILES
- N1(N=C2C=CC=CC2=N1)C1C=C(C=C(CCCCCCCCCCCC)C=1O)C
- LogP
- 8.9 at · 8.9 at 25℃
- EPA
- 2 · Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-, branched and linear (125304-04-3)
안전 및 규제
GHS 분류
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (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.;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: Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-: 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.
규제 정보
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-: 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
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
- Hazard Classifications
- Aquatic Chronic 4
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol is a uV-light absorber. It helps protect a product from deterioration because of uV-light exposure.
공급사50 곳
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