기본 정보
- CAS
28510-23-8- 표준 SMILES
CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC- InChIKey
GORMSINSWZJIKL-UHFFFAOYSA-N- 분자식
- C21H40O4
- 평균 분자량
- 356.5 g/mol
- 단동위원소 질량
- 356.29265976
이름 및 식별자
- 우선 이름
- Neopentyl Glycol Diethylhexanoate
- IUPAC
- [3-(2-ethylhexanoyloxy)-2,2-dimethylpropyl] 2-ethylhexanoate
- 현지명
- 네오펜틸글라이콜다이에틸헥사노에이트
- 영어명
- 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate
- 분자식
- C21H40O4
- 분자량
- 356.54
이름 및 동의어
28510-23-8neopentyl glycol diethylhexanoateNEOPENTYL GLYCOL DIOCTANOATENeopentyl glycol di(2-ethylhexoate)UNII-U68ZV6W62CNeopentyl glycol di(2-ethylhexanoate)Neopentyl glycol bis(2-ethylhexanoate)U68ZV6W62CSCHERCEMOL NGDOKAK-NDOEINECS 249-060-1Hexanoic acid, 2-ethyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
이름 더 보기
네오펜틸글라이콜다이에틸헥사노에이트2,2-다이메틸프로페인-1,3-다이일 2-에틸헥사노에이트2,2-디메틸프로판-1,3-디일2-에틸헥사노에이트NeopentylGlycolIsononanoateNeopentyl glycol isooctanoateNeopentyl Glycol Diisoctanoate2,2-Dimethyl-1,3-propanediol diisooctanoate2,2-Dimethylpropan-1,3-diyl-2-ethylhexanoat2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate2,2-Dimethyl-1,3-propylene bis(2-ethylhexanoate)Neopentyl Glycol Diethylhexanoate (technical grade)
COSMOL 525Hexanoic acid, 2-ethyl-, 2,2-dimethyl-1,3-propanediyl esterDTXSID20865431EC 249-060-1neopentylglycol di-2-ethylhexanoateOctanoic acid, 2,2-dimethyl-1,3-propanediol diester1,3-PROPANEDIOL, 2,2-DIMETHYL-, BIS(2-ETHYLHEXANOATE)HEXANOIC ACID, 2-ETHYL-, 2,2-DIMETHYLTRIMETHYLENE ESTER
데이터베이스 식별자
- CAS
28510-23-8- PubChem CID
- 34260
- DTXSID
DTXSID20865431- UNII
- U68ZV6W62C
- EC Number
- 249-060-1
- Nikkaji
- J250.728E
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 342
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Neopentyl Glycol Diethylhexanoate) -> CIR (Cosmetic Ingredient Review)
Emollient; Skin conditioning
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 300 ℃[at · 300℃[at 101 325 Pa]
- 밀도
- 0.94 · 0.94[at 20℃]
- 증기압
- 0 Pa · 0Pa at 20℃
- 수용성
- 1 μg/L · 1μg/L at 20℃
- 화장품 원료 기능
- 피부 컨디셔닝 - 보습제피부 컨디셔닝
- LogP
- 6 · 6
- EPA
- Neopentyl glycol di(2-ethylhexanoate) (28510-23-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 53.8% (21 of 39) of all reports.
Warning
H317 (46.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Hexanoic acid, 2-ethyl-, 1,1â²-(2,2-dimethyl-1,3-propanediyl) ester
Hexanoic acid, 2-ethyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) 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: 20-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5961
Hexanoic acid, 2-ethyl-, 2,2-dimethyl-1,3-propanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Sens. 1A (46.2%)
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
화학 및 산업
용도 및 제조
UsesCIR ingredient: Neopentyl Glycol Diethylhexanoate
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
Household ProductsInformation on 8 consumer products that contain Neopentyl glycol dioctanoate in the following categories is provided:
Use ClassificationCosmetics -> Emollient; Skin conditioning
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Hexanoic acid, 2-ethyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester: ACTIVE
공급사40 곳
北京华美互利生物化工010-56205725 · [email protected]
深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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