CAS 24034-73-9 Geranylgeraniol (HCID 5281365)

기본 정보

CAS: 24034-73-9
표준 SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIKey: OJISWRZIEWCUBN-QIRCYJPOSA-N
분자식: C20H34O
평균 분자량: 290.5 g/mol
단동위원소 질량: 290.2609657

이름 및 식별자

우선 이름: Geranylgeraniol
IUPAC: (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
현지명: 게라니게라놀
영어명: GERANYLGERANIOL
분자식: C20H34O
분자량: 290.48

이름 및 동의어

Geranylgeraniol(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-olAIA02AJA3ACHEBI:242292,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-DTXSID0013456653,7,11,15-tetramethylhexadeca-2E,6E,10E,14-tetraen-1-olRefChem:639872DTXCID50177431624034-73-9Geranyl geraniol(E,E,E)-Geranylgeraniol

이름 더 보기

게라니게라놀CJ24095CJ 24095CJ-24095FT0626663FT-0626663TetraprenolGeranylgeranio

trans-Geranylgeraniol(E,E,E)-Geranylgeranyl alcoholAll-trans-GeranylgeraniolGeranylgeraniol (Natural)Geranylgeraniol (Synthetic)MFCD00129083Geranylgeranyl alcoholtrans,trans,trans-Geranylgeraniol

데이터베이스 식별자

CAS: 24034-73-9、7614-21-3
PubChem CID: 5281365
DTXSID: DTXSID001345665
ChEMBL: CHEMBL478589
ChEBI: CHEBI:24229
UNII: AIA02AJA3A
EC Number: 623-656-5
Nikkaji: J133.911G、J31.341F

물성

구조 계산 물성

XLogP: 6.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 10
무거운 원자 수: 21
형식 전하: 0
복잡도: 390

실험 및 물리화학적 성질

Kovats Retention Index2201.2

물리화학적 성질

끓는 점: 152 · 152-153 °C(Press: 0.07 Torr)
밀도: 0.893 g/cm3 · 0.8930 g/cm3(Temp: 18 °C)
저장 조건: -20 °C · -20°C
용해도: 클로로포름(난용성), 디클로로메탄 (약간 용해됨), 아세트산에틸 (약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 14.42 · 14.42±0.10(Predicted)
색상: 무색~연황색
BRN: 1913779 · 1913779
안정성: 감광성, 온도 민감성
화장품 원료 기능: 보습제항균항산화제
InChI: InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
InChIKey: OJISWRZIEWCUBN-QIRCYJPOSA-N
SMILES: C(O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C

화학적 성질

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 40 reports by companies from 3 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

Regulatory Information2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, (2E,6E,10E)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

규제 정보

Regulatory Information2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, (2E,6E,10E)-: Does not have an individual approval but may be used under an appropriate group standard