1,12-Dodecanediol (HCID 79758)

개요

1,12-dodecanediol is a medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 12. It has a role as an Escherichia coli metabolite. It is a medium-chain primary fatty alcohol and a dodecanediol.

이름 및 식별자

우선 이름: 1,12-Dodecanediol
IUPAC: dodecane-1,12-diol
현지명: 1,12-도데칸디올
영어명: 1,12-Dodecanediol
분자식: C12H26O2
분자량: 202.33

이름 및 동의어

1,12-Dodecanediol5675-51-4Dodecamethylene glycolEINECS 227-133-9DTXSID1074919NSC 81250Dodecane1,12diolRefChem:71195DTXCID5042110GHLKSLMMWAKNBM-UHFFFAOYSA-NDodecane-1,12-diolMFCD00004755

이름 더 보기

1,12-도데칸디올Dodecan-1,12-diol10,12-Dodecanediol1,12-Dodecyl GlycolDodecaMethylene diol1,12-Dodecanediol>DODECAMETHYLENE GLYCO1,12-Dodecanediol 99%

1,12-DihydroxydodecaneCHEMBL17440S694C87MF3NSC-81250NSC812501,12-Dodecandiol1,12-dodecane diolSCHEMBL36137

데이터베이스 식별자

CAS: 5675-51-4
PubChem CID: 79758
DTXSID: DTXSID1074919
ChEMBL: CHEMBL17440
ChEBI: CHEBI:228137
UNII: S694C87MF3
EC Number: 227-133-9
Nikkaji: J123.971F

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 11
무거운 원자 수: 14
형식 전하: 0
복잡도: 82.3

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

Physical DescriptionColorless crystalline solid; [Aldrich MSDS]

물리화학적 성질

녹는점: 79 · 79-81 °C (lit.)
끓는 점: 189 °C/12 · 189 °C/12 mmHg (lit.)
밀도: 0.9216 · 0.9216 (rough estimate)
증기압: 0 Pa · 0Pa at 20℃
굴절률: 1.4656 · 1.4656 (estimate)
인화점: 176 °C · 176°C
저장 조건: 30 °C · Store below +30°C.
용해도: 1 g/L · <1g/L
산도 계수 (pKa): 14.9 · 14.90±0.10(Predicted)
물리적 상태: 가루
색상: 주황색에서 빨간색, 갈색까지
수용성: 알코올과 따뜻한 에테르에 용해됩니다. 물과 석유 에테르에 불용성.
BRN: 1742760 · 1742760
InChI: 1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
InChIKey: GHLKSLMMWAKNBM-UHFFFAOYSA-N
SMILES: OCCCCCCCCCCCCO
LogP: 3.1 at · 3.1 at 20℃
NIST: 1 · 1,12-Dodecanediol(5675-51-4)
EPA: 1 · 1,12-Dodecanediol (5675-51-4)

화학적 성질

white scales or powder

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 61.1% (11 of 18) of all reports.

H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 15-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23428

1,12-Dodecanediol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Aldrich MSDS] See 1-Dodecanol.

Hazard Classes and CategoriesAquatic Chronic 3 (33.3%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29053990
safety_code: 22
기존화학 물질: KE-12846
자연 발화 온도: 300 °C
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,12-Dodecanediol: ACTIVE

응용 분야

용도1,12-Dodecanediol is used in the polyester polyols for polyurethanes, coatings and inks, adhesives, lastomers, polyesters and co polyesters, polymer cross linkers, pharmaceutical intermediates, fragrances.