기본 정보
- 표준 SMILES
OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
KHPCPRHQVVSZAH-GUNCLKARSA-N- 분자식
- C15H20O6
- 평균 분자량
- 296.31 g/mol
- 단동위원소 질량
- 296.12598836
개요
rosin X has been reported in Rhodiola crenulata, Rhodiola sachalinensis, and other organisms with data available.
이름 및 식별자
- 우선 이름
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
- 영어명
- Rosin
- 분자식
- C15H20O6
- 분자량
- 296.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
85026-55-7- PubChem CID
- 5280656
- DTXSID
DTXSID60904535- ChEMBL
CHEMBL4175856- UNII
- SVS3GU8AY8
- EC Number
- 875-664-5
- Nikkaji
- J2.573.236G、J430.836K
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 99.4 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 328
물리화학적 성질
- 녹는점
- 75 · 75-81 °C
- 끓는 점
- 542.4 · 542.4±50.0 °C(Predicted)
- 밀도
- 1.36 · 1.36
- 인화점
- 180 °C · 180 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 0.1 g/mL, · 에 용해됨 클로로포름: 0.1 g/mL, 투명하고 강한 노란색
- 산도 계수 (pKa)
- 12.91 · 12.91±0.70(Predicted)
- 물리적 상태
- 가루
- 색상
- White-yellowish
- Dielectric constant
- 2.5 · 2.5(Ambient)
- 주요 응용
- 대사체학비타민, 기능성 식품 및 천연 제품
- InChI
- InChI=1/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/s3
- InChIKey
- KHPCPRHQVVSZAH-RHAOKAAZNA-N
- SMILES
- O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C/C=C/C1C=CC=CC=1 |&1:1,2,3,5,7,r|
안전 및 규제
GHS 분류
유해성 정보
안전 데이터
- wgk
- 1
- rtecs
- VL0480000
- HS 번호
- 38061010
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 24-37
- 기존화학 물질
- KE-28434
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
일반 설명Rosin, formerly called colophony, is a solid form of resin obtained from several pine trees extensively found in Asia, Europe and North America and to a lesser extent from other conifers conifers. It is prepared by cutting a long slice in the tree to allow exudation and to collect the liquid resin in containers. Afterwards the liquid resin is steam heated to remove volatile terpene and turpentine and leaving gum rosin as residue. It is semi-transparent and varies in color from yellow to black. It chiefly consists of different organic acids, among those abietic acid (C19H29COOH) is the most important. Rosin is a brittle and friable resin, with a faint piney odor; the melting-point varies with different specimens, some being semi-fluid at the temperature of boiling water, while others melt between 100°C to 120°C. It is very flammable, burning with a smoky flame. It is soluble in alcohol, ether, benzene and chloroform. Rosin combines with caustic alkalis to yield salts called rosinates or pinates that are known as rosin soaps. In addition to its extensive use in soap making, rosin is largely employed in making inferior varnishes, sealing-wax and various adhesives.
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