기본 정보
- 표준 SMILES
CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C- InChIKey
WAYINTBTZWQNSN-UHFFFAOYSA-N- 분자식
- C22H44O2
- 평균 분자량
- 340.6 g/mol
- 단동위원소 질량
- 340.33413064
이름 및 식별자
- 우선 이름
- Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester
- IUPAC
- 11-methyldodecyl 3,5,5-trimethylhexanoate
- 현지명
- 3,5,5-트리메틸헥사노익 산 이소트리데실 에스테르
- 영어명
- isotridecyl 3,5,5-trimethylhexanoate
- 분자식
- C22H44O2
- 분자량
- 340.58356
이름 및 동의어
59231-37-7Isotridecyl 3,5,5-trimethylhexanoateWickenol 153EINECS 261-675-7Hexanoic acid, 3,5,5-trimethyl-, isotridecyl esterDTXSID70866751Isomeric tetramethyl-1-nonyl 3,5,5-trimethyl hexanoateRefChem:787366DTXCID70815007261-675-711-methyldodecyl 3,5,5-trimethylhexanoateSCHEMBL8575386
이름 더 보기
3,5,5-트리메틸헥사노익산이소트리데실에스테르3,5,5-트리메틸헥사노익산이소트리데실에스테르이소트리데실3,5,5-트리메틸헥사노에이트
DTXSID00275958DB-308151NS000138023,5,5-trimethylhexanoic acid-isotridecyl esterQ27292590
데이터베이스 식별자
- CAS
42131-27-1、59231-37-7、60892-53-7- PubChem CID
- 100993
- UNII
- WEF51750MT
- EC Number
- 261-675-7
- Nikkaji
- J3.586.479B
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 302
물리화학적 성질
- 끓는 점
- 161 ℃[at · 161℃[at 101 325 Pa]
- 밀도
- 0.86 · 0.86[at 20℃]
- 증기압
- 0.001 Pa · 0.001Pa at 20℃
- 냄새
- 100 · 100.00?%. 온화한
- 수용성
- 250 ng/L · 250ng/L at 25℃
- 화장품 원료 기능
- 피부 컨디셔닝 - 보습제피부 컨디셔닝
- LogP
- 9.45 at · 9.45 at 25℃
- EPA
- 3 · Isotridecyl 3,5,5-trimethylhexanoate (59231-37-7)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (24 of 24) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 24 of 24 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 24 of 24 reports by companies.；There are 0 notifications provided by 0 of 24 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
Chemical: Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester
Status: Active Update: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26650
Hexanoic acid, 3,5,5-trimethyl-, isotridecyl 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 CategoriesNot Classified
규제 정보
Regulatory Information
Chemical: Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester
Status: Active Update: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/26650
Hexanoic acid, 3,5,5-trimethyl-, isotridecyl 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.
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-34562
화학 및 산업
용도 및 제조
Use ClassificationCosmetics -> Emollient; Skin conditioning
General Manufacturing InformationHexanoic acid, 3,5,5-trimethyl-, isotridecyl ester: ACTIVE
공급사9 곳
北京华美互利生物化工010-56205725 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
武汉贝乐叶生物医药科技有限公司15871353653 18086118076 · [email protected]
湖北楚盛威化工有限公司87891008 18971625309 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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