기본 정보
- 표준 SMILES
CC(C)OC(=O)CCCCC(=O)OC(C)C- InChIKey
ZDQWESQEGGJUCH-UHFFFAOYSA-N- 분자식
- C12H22O4
- 평균 분자량
- 230.3 g/mol
- 단동위원소 질량
- 230.15180918
개요
Diisopropyl adipate is an isopropyl ester and a fatty acid ester.
이름 및 식별자
- 우선 이름
- Diisopropyl Adipate
- IUPAC
- dipropan-2-yl hexanedioate
- 현지명
- 아디프산디이소프로필에스테르
- 영어명
- Diisopropyl adipate
- 분자식
- C12H22O4
- 분자량
- 230.3
이름 및 동의어
DIISOPROPYL ADIPATE6938-94-9Adipic acid diisopropyl esterIsopropyl adipateCeraphyl 230Adipic acid, diisopropyl esterCrodamol DAHexanedioic acid, bis(1-methylethyl) esterBis(1-methylethyl)hexanedioateDTXSID5027641P7E6YFV72XNSC-56587
이름 더 보기
다이아이소프로필아디페이트아디프산디이소프로필에스테르다이아이소프로필아디페이트(DIISOPROPYLADIPATE)다이아이소프로필 아디페이트Diisopropyl hexanedioateDIPAbetadiabeta diaNsc56587ISOADIPATcrodamoldaceraphyl230
Hexanedioic acid, 1,6-bis(1-methylethyl) esterDTXCID507641FEMA NO. 4474RefChem:587896230-072-0ProdipateStandamul DIPAWickenol 116
데이터베이스 식별자
- CAS
6938-94-9- PubChem CID
- 23368
- DTXSID
DTXSID5027641- ChEMBL
CHEMBL3184058- ChEBI
CHEBI:34711- UNII
- P7E6YFV72X
- EC Number
- 230-072-0
- Nikkaji
- J14.488F
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 197
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Diisopropyl Adipate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Diisopropyl adipate) -> IFRA transparency List
PlasticizersPlasticizer
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.963-0.968 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point
251.00 to 253.00 °C. @ 760.00 mm Hg
251-253 °C
Melting Point-1 °C
Refractive Index1.423-1.427
Physical Description
Liquid
Clear colourless liquid; Light alcoholic aroma
물리화학적 성질
- 녹는점
- -1 °C · -1°C(lit.)
- 끓는 점
- 120 °C · 120 °C
- 밀도
- 0 · 0,97 g/cm3
- 증기압
- 0.26 · 0.26-5.946Pa at 20-25℃
- FEMA
- 4474 · 4474 | DIISOPROPYL ADIPATE
- 굴절률
- 1.422 · 1.4220-1.4250
- 인화점
- 124 °C · 124 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 1000 g/L · 1000g/L in organic solvents at 20 ℃
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 0 · 0[at 20 ℃]
- 색상
- 무색 내지 거의 무색
- Specific Gravity
- 0.963 · 0.963~0.970 (20/4℃)
- 냄새
- 100 %에서 · 100.00%에서. 순한 에스테르 지방 사워
- 냄새 유형
- 에스테리 향
- 수용성
- 180 · 180-500mg/L at 25-26℃
- JECFA Number
- 1966 · 1966
- 화장품 원료 기능
- 용제피부 컨디셔닝 - 보습제피부 컨디셔닝가소제향기
- LogP
- 3.389 at · 3.389 at 25℃
- NIST
- Hexanedioic acid, bis(1-methylethyl) ester(6938-94-9)
- EPA
- Diisopropyl adipate (6938-94-9)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 88.8% (326 of 367) of all reports.
Warning
H315 (10.4%): 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)
Aggregated GHS information provided per 367 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Hexanedioic acid, bis(1-methylethyl) ester
Hexanedioic acid, 1,6-bis(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, 1,6-bis(1-methylethyl) ester 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: 28-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5933
Diisopropyl adipate: Does not have an individual approval but may be used under an appropriate group standard
EPA Safer ChemicalChemical: Diisopropyl adipate
Hazard Classes and CategoriesSkin Irrit. 2 (10.4%)
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
안전 데이터
- tsca
- TSCA listed
- rtecs
- AV1575000
- HS 번호
- 29171200
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39-24/25
- 기존화학 물질
- KE-18681
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
UsesCIR ingredient: Diisopropyl Adipate
U.S. Production2020: 75,240 lb
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 31 consumer products that contain Diisopropyl adipate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Emollient
General Manufacturing Information
Not Known or Reasonably Ascertainable
Hexanedioic acid, 1,6-bis(1-methylethyl) ester: ACTIVE
응용 분야
용도diisopropyl adipate is a low-viscosity emollient. It increases a preparation’s spreadability.
공급사50 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东穗泰生物科技有限公司15689727968 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
武汉欣扬瑞和化学科技有限公司027-83855316 18171155316
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
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陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
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北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
尤尼威尔化学品（上海）有限公司021-61932772 13012862996 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
成都京欣科技有限公司028-85005297 13980656781 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海西格生物科技有限公司021-57810052 18930344717 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
上海习致化学有限公司021-69005855 13701817869 · [email protected]
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