데하이드로아비에트산

Dehydroabietic Acid

HCID 94391CAS 1740-19-8

기본 정보

표준 SMILES
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C
InChIKey
NFWKVWVWBFBAOV-MISYRCLQSA-N
분자식
C20H28O2
평균 분자량
300.4 g/mol
단동위원소 질량
300.20893013

이름 및 식별자

우선 이름
Dehydroabietic Acid
IUPAC
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
현지명
데하이드로아비에트산
영어명
Dehydroabietic acid
분자식
C20H28O2
분자량
300.44

이름 및 동의어

DEHYDROABIETIC ACID1740-19-8Abieta-8,11,13-trien-18-oic acidAbietic acid, dehydro-(-)-Dehydroabietic acid(+)-Dehydroabietic acid1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-13-Isopropylpodocarpa-8,11,13-trien-15-oic acid0S5XP6S3AUCHEBI:29571Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-NSC-2952
이름 더 보기
데하이드로아비에트산DehydroabieticDehydroabietate(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid[1R-(1α,4aehydroabieticacidehydro-abieticaciehydroabietlc acid
Isopropyl podocarpa-8,11,13-trien-15-oic acidDTXSID8022163(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid(1R-(1alpha,4Abeta,10aalpha))-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acidRefChem:131448DTXCID402163217-102-8NSC 2952

데이터베이스 식별자

CAS
1740-19-8
PubChem CID
94391
DTXSID
DTXSID8022163
ChEMBL
CHEMBL12850
ChEBI
CHEBI:29571
UNII
0S5XP6S3AU
EC Number
217-102-8
Nikkaji
J12.735C

물성

구조 계산 물성

XLogP
5.6
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
22

실험 및 물리화학적 성질

Physical DescriptionOther Solid; CBI

물리화학적 성질

녹는점
174 · 174-176℃
끓는 점
394.13 °C · 394.13°C (rough estimate)
밀도
1.058 · 1.058
굴절률
1.5404 · 1.5404 (estimate)
저장 조건
-20 °C · Sealed in dry,Store in freezer, under -20°C
용해도
30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 10 mg/ml

화학적 성질

White Solid or Colorless needle crystal, Slightly soluble in water, soluble in methanol, ethanol, DMSO and other organic solvents. It is an abietane diterpenic resin acid that is obtained from Pinus resin.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 28.1% (195 of 694) of reports.

Warning

H302 (65.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 694 reports by companies from 8 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 195 of 694 reports by companies.;There are 7 notifications provided by 499 of 694 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 · 1건

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazard Classes and CategoriesAcute Tox. 4 (65.9%)

규제 정보

Regulatory Information · 1건

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
UN 2811 6.1 / PGIII
HS 번호
29161900
risk_code
25-50
hazard_code
T,N

화학 및 산업

용도 및 제조

U.S. Production2023: 75,000 - <500,000 lb;2022: 75,000 - <500,000 lb;2021: 75,000 - <500,000 lb;2020: 75,000 - <500,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information · 2건

Synthetic Dye and Pigment Manufacturing;Printing Ink Manufacturing

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-: ACTIVE

응용 분야 · 1건

용도Dehydroabietic Acid is a resin acid found commonly in rosin. Dehydroabietic Acid is used in rosin-type nucleating agent for polypropylene (PP). Dehydroabietic Acid is used commonly in the synthesis of surfactants, antioxidants and chiral catalysts.

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
추가 설명 · 1건

정의ChEBI: Dehydroabietic acid is an abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. It has a role as a metabolite and an allergen. It is an abietane diterpenoid, a monocarboxylic acid and a carbotricyclic compound. It derives from an abietic acid. It is a conjugate acid of a dehydroabietate.

관련 반응

3건

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