Basic information
- CAS
6938-94-9- Standard SMILES
CC(C)OC(=O)CCCCC(=O)OC(C)C- InChIKey
ZDQWESQEGGJUCH-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Overview
Diisopropyl adipate is an isopropyl ester and a fatty acid ester.
Names & identifiers
- Preferred name
- Diisopropyl Adipate
- IUPAC
- dipropan-2-yl hexanedioate
- English name
- Diisopropyl adipate
- Molecular formula
- C12H22O4
- Molecular weight
- 230.3
Names & synonyms
DIISOPROPYL ADIPATE6938-94-9Adipic acid diisopropyl esterIsopropyl adipateCeraphyl 230Adipic acid, diisopropyl esterCrodamol DAHexanedioic acid, bis(1-methylethyl) esterBis(1-methylethyl)hexanedioateDTXSID5027641P7E6YFV72XNSC-56587
Show more names
Diisopropyl hexanedioateDIPAbetadiabeta diaNsc56587ISOADIPATcrodamoldaceraphyl230
Hexanedioic acid, 1,6-bis(1-methylethyl) esterDTXCID507641FEMA NO. 4474RefChem:587896230-072-0ProdipateStandamul DIPAWickenol 116
Database identifiers
- CAS
6938-94-9- PubChem CID
- 23368
- DTXSID
DTXSID5027641- ChEMBL
CHEMBL3184058- ChEBI
CHEBI:34711- UNII
- P7E6YFV72X
- EC Number
- 230-072-0
- Nikkaji
- J14.488F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
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
Physicochemical properties
- Melting point
- -1 °C · -1°C(lit.)
- Boiling point
- 120 °C · 120 °C
- Density
- 0 · 0,97 g/cm3
- vapor pressure
- 0.26 · 0.26-5.946Pa at 20-25℃
- FEMA
- 4474 · 4474 | DIISOPROPYL ADIPATE
- refractive index
- 1.422 · 1.4220-1.4250
- Flash point
- 124 °C · 124 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 1000 g/L · 1000g/L in organic solvents at 20 ℃
- form
- clear liquid
- pka
- 0 · 0[at 20 ℃]
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.963 · 0.963~0.970 (20/4℃)
- Odor
- 100 % · at 100.00 %. mild estery fatty sour
- Odor Type
- estery
- Water Solubility
- 180 · 180-500mg/L at 25-26℃
- JECFA Number
- 1966 · 1966
- Cosmetics Ingredients Functions
- SOLVENTSKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGPLASTICISERFRAGRANCE
- Cosmetic Ingredient Review (CIR)
- Diisopropyl adipate (6938-94-9)
- LogP
- 3.389 at · 3.389 at 25℃
- CAS DataBase Reference
- 6938 · 6938-94-9(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- DIISOPROPYL ADIPATE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 E6YFV72X · P7E6YFV72X
- NIST Chemistry Reference
- Hexanedioic acid, bis(1-methylethyl) ester(6938-94-9)
- EPA Substance Registry System
- Diisopropyl adipate (6938-94-9)
- Cosmetics Info
- Diisopropyl Adipate
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-24/25
- RTECS
- 1575000 · AV1575000
- TSCA
- TSCA listed
- HS Code
- 29171200 · 29171200
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
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%)
Toxicology
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
Safety data
- tsca
- TSCA listed
- rtecs
- AV1575000
- hs_code
- 29171200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-24/25
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
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
Applications
Usesdiisopropyl adipate is a low-viscosity emollient. It increases a preparation’s spreadability.
Suppliers100 total
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]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
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]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
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]
Additional notes
DefinitionChEBI: Diisopropyl adipate is a fatty acid ester and an isopropyl ester.
Related reactions
1 records
Compound notes
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