기본 정보
- CAS
40248-63-3- 표준 SMILES
CC1CCC(C(C)C)C(OCC(=O)O)C1- InChIKey
CILPHQCEVYJUDN-UHFFFAOYSA-N- 분자식
- C12H22O3
- 평균 분자량
- 214.3 g/mol
- 단동위원소 질량
- 214.15689456
이름 및 식별자
- 우선 이름
- 2-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid
- IUPAC
- 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid
- 현지명
- [[(2S)-2-ISOPROPYL-5-메틸사이클로헥실]옥시]아세트산
- 영어명
- [[(2S)-2-Isopropyl-5-methylcyclohexyl]oxy]acetic acid
- 분자식
- C12H22O3
- 분자량
- 214.3
이름 및 동의어
71420-37-6((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acidRefChem:10605452-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid275-438-0(-)-Menthyloxyacetic acid40248-63-3(-)-Menthoxyacetic acidL-Menthoxyacetic acid2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid[(2-Isopropyl-5-methylcyclohexyl)oxy]acetic acid(+)-Menthoxyacetic Acid
이름 더 보기
[[(2S)-2-ISOPROPYL-5-메틸사이클로헥실]옥시]아세트산[(1RANZ-C[1(S)-BENZYL-2(R)3-p-Menthoxyacetic acid2-Epoxy-3-(Boc-amino)-4-phe nylbutane[(1S)-1-(2R)-oxiranyl-2-phenylethyl]-3S)-5-ethynyl-4-Methylcyclohex-4-ene-13-diyl)bis(oxy)bis(tert-butyldiMethylsilane)3s)-3-(n-boc-amino)-1-oxirane-4-phenylbutane3-EPOXYPROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
Levo-menthoxyacetic acid2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetic acidL-p-Menth-3-yloxyacetic acidmenthoxyacetic acid2-((2-Isopropyl-5-methylcyclohexyl)oxy)acetic acidEINECS 254-857-2EINECS 275-438-0EN300-25882
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 213
물리화학적 성질
- 녹는점
- 35 °C · 35 °C
- 끓는 점
- 171 °C · 171 °C(Press: 11 Torr)
- 밀도
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.47 · 3.47±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
화학 및 산업
공급사3 곳
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
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