기본 정보
- 표준 SMILES
CCCCCCCCCCC(C)O- InChIKey
XSWSEQPWKOWORN-UHFFFAOYSA-N- 분자식
- C12H26O
- 평균 분자량
- 186.33 g/mol
- 단동위원소 질량
- 186.19836545
개요
Dodecan-2-ol is a secondary alcohol that is dodecane substituted by a hydroxy group at position 2. It is a dodecanol and a secondary alcohol.
이름 및 식별자
- 우선 이름
- Dodecan-2-ol
- IUPAC
- dodecan-2-ol
- 영어명
- 2-DODECANOL
- 분자식
- C12H26O
- 분자량
- 186.33
이름 및 동의어
2-DODECANOLDodecan-2-ol10203-28-8EINECS 233-500-4AI3-35259DTXSID70864232NSC 86142RefChem:590110DTXCID90812775233-500-4Dodecanol-22-lauryl alcohol
이름 더 보기
ALCOHOL C12Dodecane-2-ol2-Dodecanol>rac-2-dodecanol2-DODECANOL 99%2-Dodecanol,99%C13061010 2-Dodecanol
2-hydroxydodecanedecylmethylcarbinolMFCD00004551(RS)-2-DODECANOLSCHEMBL120359(+/-)-2-DODECANOLCCG-40548NSC-86142
데이터베이스 식별자
- CAS
10203-28-8- PubChem CID
- 25045
- DTXSID
DTXSID70864232- ChEMBL
CHEMBL446067- ChEBI
CHEBI:195616- UNII
- ZWE64D8TQN
- EC Number
- 233-500-4
- Nikkaji
- J112.111A
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 91.1
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 녹는점
- 19 °C · 19 °C
- 끓는 점
- 249 · 249-250 °C (lit.)
- 밀도
- 0.829 g/mL · 0.829 g/mL at 20 °C (lit.)
- 굴절률
- 20 · n20/D 1.44(lit.)
- 인화점
- 230 °F · >230 °F
- 산도 계수 (pKa)
- 15.27 · 15.27±0.20(Predicted)
- 물리적 상태
- powder to lump to clear liquid
- 색상
- White or Colorless to Almost white or Almost colorless
- BRN
- 1720036 · 1720036
- InChI
- InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
- InChIKey
- XSWSEQPWKOWORN-UHFFFAOYSA-N
- SMILES
- CC(O)CCCCCCCCCC
- LogP
- 4.759 · 4.759 (est)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2-Dodecanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29051900
- risk_code
- 36/37/38
- safety_code
- 23-24/25
- 기존화학 물질
- KE-12889
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information2-Dodecanol: ACTIVE
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