기본 정보
- 표준 SMILES
NNC(=O)CCCCC(=O)NN- InChIKey
IBVAQQYNSHJXBV-UHFFFAOYSA-N- 분자식
- C6H14N4O2
- 평균 분자량
- 174.2 g/mol
- 단동위원소 질량
- 174.11167569
개요
The CIR Expert Panel concludes that the available data are insufficient to support the safety of Adipic Acid Dihydrazide as used in cosmetic products.
이름 및 식별자
- 우선 이름
- Adipic Dihydrazide
- IUPAC
- hexanedihydrazide
- 현지명
- 아디핀산 디히드라지드
- 영어명
- Adipic dihydrazide
- 분자식
- C6H14N4O2
- 분자량
- 174.2
이름 및 동의어
Adipic dihydrazide1071-93-8Adipic acid dihydrazideHexanedioic acid, dihydrazideadipic hydrazideVK98I9YW5MAJICURE ADHQUALIMER ADHNSC-3378ULTRALINK HYDRAZIDENSC-29542NSC3378
이름 더 보기
아디핀산디히드라지드아디포하이드라자이드아디픽애씨드다이하이드라자이드아디포일 다이하이드라자이드아디프산 다이하이드라자이드아디프산, 다이하이드라자이드헥세인다이하이드라자이드헥세인이산 다이하이드라자이드헥세인이산, 1,6-다이하이드라자이드헥세인이산, 다이하이드라자이드ADH403dihydrazideADIPYL HYDRAZIDEWSP ADHAdip dihydrWLN: ZMV4VMZ
BK 1000ZBT 1000ZNSC29542T 2210RefChem:553051213-999-5AdipohydrazideHexanedihydrazide
데이터베이스 식별자
- CAS
1071-93-8- PubChem CID
- 66117
- DTXSID
DTXSID0044361- ChEMBL
CHEMBL3185968- UNII
- VK98I9YW5M
- EC Number
- 213-999-5
- Nikkaji
- J36.606D
물성
구조 계산 물성
- XLogP
- -2.1
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 142
실험 및 물리화학적 성질
CosmeticsCosmetic ingredients (Adipic Acid Dihydrazide) -> CIR (Cosmetic Ingredient Review)
Physical DescriptionDry Powder; Dry Powder; Large Crystals; Liquid; Large Crystals; Liquid
Collision Cross Section138.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044361]
물리화학적 성질
- 녹는점
- 180 · 180-182 °C (lit.)
- 끓는 점
- 305.18 °C · 305.18°C (rough estimate)
- 밀도
- 1.2297 · 1.2297 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.67 · 1.6700 (estimate)
- 인화점
- 150 °C · 150 °C
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 O: · H2O: 100 mg/mL
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 12.93 · 12.93±0.35(Predicted)
- 색상
- 흰색에서 약간 노란색
- 수용성
- 녹는
- BRN
- 973863 · 973863
- 화장품 원료 기능
- 향기보습
- InChI
- 1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
- InChIKey
- IBVAQQYNSHJXBV-UHFFFAOYSA-N
- SMILES
- NNC(=O)CCCCC(=O)NN
- LogP
- -2.7 at · -2.7 at 20℃
- NIST
- Adipic dihydrazide(1071-93-8)
- EPA
- Hexanedioic acid, dihydrazide (1071-93-8)
화학적 성질
white to slightly yellow crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4.2% (119 of 2828) of reports.
Warning
H317 (18.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2828 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Hexanedioic acid, dihydrazide
Regulation (EC) No 1935/2004 (amended)
Hexanedioic acid, 1,6-dihydrazide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-dihydrazide 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)
Status: Active Update: 31-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13483
Hexanedioic acid, dihydrazide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (18.7%)
Skin sensitization - Category 1B
독성 정보
Toxicity Summary
The CIR Expert Panel concludes that the available data are insufficient to support the safety of Adipic Acid Dihydrazide as used in cosmetic products.
The available data are insufficient to support safety, but the ingredient is not used
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AV1400000
- HS 번호
- 29280090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-18695
- 자연 발화 온도
- 360 °C
- Hazard Classifications
- Aquatic Chronic 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesCIR ingredient: Adipic Acid Dihydrazide
U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesHardener
Industry UsesMonomers
General Manufacturing Information
Furniture and Related Product Manufacturing
Hexanedioic acid, 1,6-dihydrazide: ACTIVE
응용 분야
개요Adipic dihydrazide (ADH) is the most suitable hydrazide cross-linking agent, and ADH has been widely used in water-based paint emulsions in combination with diacetone acrylamide. ADH is weakly alkaline, and there is a possibility of agglomeration when solid ADH is added directly to the emulsion, so usually ADH should be dissolved in hot water before use.
용도Adipic dihydrazide is used as a formaldehyde scavenger and reacts with formaldehyde, thereby preventing the volatilizing of formaldehyde in the air. It is also employed as a paint additive and coating additive. It is also used as an intermediate. Further, it is used for cross-linking water-based emulsions and as a hardener for certain epoxy resins, which finds application in powder coating.
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