트랜스-4-(히드록시메틸)시클로헥산올

Rac-(1s,4s)-4-(hydroxymethyl)cyclohexanol

HCID 12892866

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 33893-85-5
표준 SMILES: OCC1CCC(O)CC1
InChIKey: VGRZISGVNOKTQU-LJGSYFOKSA-N
분자식: C7H14O2
평균 분자량: 130.18 g/mol

개요

See also: Rac-(1r,4r)-4-(hydroxymethyl)cyclohexan-1-ol (annotation moved to).

이름 및 식별자

우선 이름: Rac-(1s,4s)-4-(hydroxymethyl)cyclohexanol
IUPAC: 4-(hydroxymethyl)cyclohexan-1-ol
현지명: 트랜스-4-(히드록시메틸)시클로헥산올
영어명: trans-4-(Hydroxymethyl)cyclohexanol
분자식: C7H14O2
분자량: 130.19

이름 및 동의어

rac-(1S,4S)-4-(Hydroxymethyl)cyclohexanolRefChem:873408833-814-7trans-4-(Hydroxymethyl)cyclohexanol4-(Hydroxymethyl)cyclohexanol33893-85-53685-27-63685-24-3cis-4-(Hydroxymethyl)cyclohexanol4-(hydroxymethyl)cyclohexan-1-olcis-4-Hydroxycyclohexanemethanol(1s,4s)-4-(hydroxymethyl)cyclohexan-1-ol

이름 더 보기

트랜스-4-(히드록시메틸)시클로헥산올trans-4-Hydroxycyclohexanemethanoltrans-4-(Hydroxymethy)cyclohexanol(1r,4r)-4-(hydroxymethyl)cyclohexanoltrans-4-(Hydroxymethyl)cyclohexan-1-oltrans-4-(Hydroxymethyl)cyclohexanol>Cyclohexanemethanol, 4-hydroxy-, trans-TRANS-4-(HYDROXYMETHYL)CYCLOHEXANOL,98.0%(GC)

4-Hydroxymethyl-cyclohexanolMFCD09866843MFCD110362484-hydroxymethylcyclohexanol(1R,4R)-4-(HYDROXYMETHYL)CYCLOHEXAN-1-OLMFCD098668464- pound hydroxymethyl pound(c)cyclohexanolCIS-4-(HYDROXYMETHYL)CYCLOHEXAN-1-OL

데이터베이스 식별자

CAS: 33893-85-5、3685-24-3、3685-27-6
PubChem CID: 12892866
DTXSID: DTXSID501297079
EC Number: 833-814-7、880-070-4
Nikkaji: J3.151.521A

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 75

물리화학적 성질

녹는점: 104 °C · 104 °C
끓는 점: 262 · 262.0±8.0 °C(Predicted)
밀도: 1.066 · 1.066±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 15.05 · 15.05±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2/t6-,7-
InChIKey: VGRZISGVNOKTQU-LJGSYFOKSA-N
SMILES: [C@@H]1(CO)CC[C@@H](O)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2906190090

화학 및 산업

응용 분야 · 1건

용도Trans-4-(Hydroxymethyl)cyclohexanol can be used to synthesize certain fragrance compounds, imparting a distinct aroma. It can also serve as an intermediate in the synthesis of certain cosmetic ingredients, including moisturizers and antioxidants.